O NH O NH O. GENERAL INFORMATION IUPAC Name: 3'-carbamoylbiphenyl-3-yl cyclohexylcarbamate CAS#: 56-08-6 Synonyms: Source: Appearance: UV max (nm): KDS-03 DEA Reference Material Collection White powder Not Determined. CHEMICAL AND PHYSICAL DATA. CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 0 H N O 3 338 Not Determined Page of 6
3. QUALITATIVE DATA 3. NUCLEAR MAGNETIC RESONANCE Sample Preparation: Dilute analyte to ~5 mg/ml incd 3 OD containing TMS for 0 ppm reference and maleic acid as quantitative internal standard. Instrument: Parameters: 00 MHz NMR spectrometer Spectral width: at least containing -3 ppm through 3 ppm Pulse angle: 90 o Delay between pulses: 5 seconds H NMR: Lot # ALB-3-; CD 3 OD; 00MHz Maleic Acid from CD3OD from CD3OD TMS 0.5 0.0 0.35 0.30 0.5 0.0 0.5 0.0 0.05 0 5 8 7 6 5 3 0 0. 0.3 0. 0. 0 5 8.00 7.75 7.50 7.5 3.75 3.5.75.50.5 Page of 6
3. GAS CHROMATOGRAPHY/MASS SPECTROMETRY Sample Preparation: Dilute analyte to ~ mg/ml in chloroform with 5 drops methanol. Instrument: Agilent gas chromatograph operated in split mode with MS detector Column: DB- MS (or equivalent); 30m x 0.5 mm x 0.5 µm Carrier Gas: Helium at ml/min Temperatures: Injector: 80 o C MSD transfer line: 80 o C MS Source: 30 o C MS Quad: 50 o C Oven program: ) 00 o C initial temperature for.0 min ) Ramp to 300 o C at o C/min 3) Hold final temperature for 9.0 min Injection Parameters: Split Ratio = 0:, µl injected MS Parameters: Mass scan range: 30-550 amu Threshold: 00 Tune file: stune.u Acquisition mode: scan Retention Time: MWt 3:.96 min; MWt 5:.860 min. EI Mass Spectrum: (MWt 3) Lot # ALB-3- Intensity [x 0 ] 97 3 6 5 5 39 69 3 39 EI+ 5 63 70 75 8 89 99 8 5 8 0 60 80 00 0 0 60 80 00 m/z Page 3 of 6
Intensity [x 0 5 ] EI Mass Spectrum: (MWt 5) Lot # ALB-3-.5 39 56 5 67 69 8 97.0 0.5 EI+ 5 0 5 0 50 60 70 80 90 00 0 0 30 0 m/z.860 TIC: Lot # ALB-3-.96 6 8 0 6 8 0 Retention Time (min) GC/MS Analytical Observation: is thermally unstable; therefore, no Electron Impact mass spectrum of the complete molecule could be obtained. Instead, the mass spectrum shows the presence of two compounds,one with a molecular weight of 3 and a second with a molecular weight of 5. The combined masses equal the molecular weight of. The mass spectra of the two compounds are shown above along with the TIC. Page of 6
700 600 500 00 300 00 00 000 900 800 700 Wavenumber (cm-) Page 5 of 6 3.3 INFRARED SPECTROSCOPY (FTIR) Insrument: FTIR with diamond ATR attachment (3 bounce) Scan Parameters: Number of scans: 3 Number of background scans: 3 Resolution: cm - Sample gain: 8 Aperture: 50 FTIR ATR (Diamond, 3 Bounce): Lot # ALB-3- Wavenumber (cm-) 3500 3000 500 000 500 %Transmittance 8 56 6 7 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 850 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 33 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 398 %Transmittance 8 56 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 67 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 55 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 69 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 77 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 80 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 003 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 06 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 05 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 088 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 36 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 50 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 73 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 30 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 37 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 389 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 56 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 93 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 578 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 605 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 66 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695 695
. ADDITIONAL RESOURCES http://forendex.southernforensic.org/index.php/detail/index/ Forendex http://en.wikipedia.org/wiki/urb597 Wikipedia Page 6 of 6