SpectraBase Spectrum ID |
1cgito44O |
Name |
Clorazepate-M AC |
Classification |
Pharmaceutical drug metabolite |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
331.061135631 u |
Formula |
C17H14ClNO4 |
InChI |
InChI=1S/C17H14ClNO4/c1-11(20)23-10-16(21)19-15-8-7-13(18)9-14(15)17(22)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21) |
InChIKey |
QDDKCJVSVSHMQD-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
331.755 g/mol |
Nominal Mass |
331 u |
Quality |
927 |
Retention Index |
2486 |
SMILES |
C=1(C(NC(COC(=O)C)=O)=CC=C(C1)Cl)C(C1=CC=CC=C1)=O |
SPLASH |
splash10-0002-1490000000-7b893f0e948b71e99fc6 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_000754 |