SpectraBase Spectrum ID |
AYWWs88lp4R |
Name |
Chlorazepate-A (-CO2) AC |
Classification |
Pharmaceutical drug artifact |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
330.077120048 u |
Formula |
C17H15ClN2O3 |
InChI |
InChI=1S/C17H15ClN2O3/c1-11(21)20-15-8-7-13(18)9-14(15)16(19-10-17(20,22)23)12-5-3-2-4-6-12/h2-9,22-23H,10H2,1H3 |
InChIKey |
ALTBEWZTVKAWRZ-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
330.771 g/mol |
Nominal Mass |
330 u |
Quality |
951 |
Retention Index |
2844 |
SMILES |
OC1(N(C=2C(C(C3=CC=CC=C3)=NC1)=CC(=CC2)Cl)C(=O)C)O |
SPLASH |
splash10-001i-5390000000-4839402ae616774dc331 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(7-chloro-2,2-dihydroxy-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)ethan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_008084 |