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Clorazepate-M AC
SpectraBase Compound ID IUj3OVLhpqI
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
Mol Weight 331.76 g/mol
Molecular Formula C17H14ClNO4
Exact Mass 331.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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