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Clorazepate-m isomer-1 HY2AC @P1098

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

Clorazepate-m isomer-1 HY2AC @P1098
SpectraBase Compound ID 5mwGPZvwsWU
InChI InChI=1S/C17H14ClNO4/c1-10(20)19-16-7-6-13(18)9-15(16)17(22)12-4-3-5-14(8-12)23-11(2)21/h3-9H,1-2H3,(H,19,20)
InChIKey NMIIFUPKOQJVBT-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 CzSlkv5CtXp
Name Clorazepate-m isomer-1 HY2AC @P1098
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/c1-10(20)19-16-7-6-13(18)9-15(16)17(22)12-4-3-5-14(8-12)23-11(2)21/h3-9H,1-2H3,(H,19,20)
InChIKey NMIIFUPKOQJVBT-UHFFFAOYSA-N
Molecular Weight 331.755 g/mol
SMILES C=1C=C(NC(=O)C)C(C(C=2C=C(C=CC2)OC(=O)C)=O)=CC1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96584