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Cinazepam
SpectraBase Compound ID 3VQMwRLESSz
InChI InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
InChIKey NQTRBZXDWMDXAQ-UHFFFAOYSA-N
Mol Weight 465.69 g/mol
Molecular Formula C19H14BrClN2O5
Exact Mass 463.977462 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3o5Qpn1pwy
Name Cinazepam
Source of Sample Cayman Chemical Company
Catalog Number 30208
CAS Registry Number 172986-25-3
Cell Type Capillary tube
Copyright Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14BrClN2O5
IUPAC Name 1-[7-Bromo-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl] ester, butanedioic acid
InChI InChI=1S/C19H14BrClN2O5/c20-10-5-6-14-12(9-10)17(11-3-1-2-4-13(11)21)23-19(18(27)22-14)28-16(26)8-7-15(24)25/h1-6,9,19H,7-8H2,(H,22,27)(H,24,25)
InChIKey NQTRBZXDWMDXAQ-UHFFFAOYSA-N
Molecular Weight 465.687 g/mol
Purity >=98%
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Source Nd:YAG
SMILES N1c2ccc(cc2C(=NC(OC(CCC(=O)O)=O)C1=O)c1ccccc1Cl)Br
Scans Performed 2688
Source of Spectrum Forensic Spectral Research
Synonyms BD-798
Technique FT-Raman
UV - Neutral Conditions UVmax (nm): 233