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Clorazepate-m ac

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID B8CGmlqMPoR
Name Clorazepate-m ac
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 331.755 g/mol
SMILES C=1(C(NC(COC(=O)C)=O)=CC=C(C1)Cl)C(C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979023