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4-Chloro-3-cinnamylideneaminobenzoic acid

View entire compound with spectra: 1 FTIR

4-Chloro-3-cinnamylideneaminobenzoic acid
SpectraBase Compound ID 73noWAvcqh8
InChI InChI=1S/C16H12ClNO2/c17-14-9-8-13(16(19)20)11-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,19,20)/b7-4+,18-10+
InChIKey FSHWJQZOJIGHCI-UOMISXDJSA-N
Mol Weight 285.73 g/mol
Molecular Formula C16H12ClNO2
Exact Mass 285.055656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 81YJnrXEbVl
Name 4-Chloro-3-cinnamylideneaminobenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.055656328 u
Formula C16H12ClNO2
InChI InChI=1S/C16H12ClNO2/c17-14-9-8-13(16(19)20)11-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-11H,(H,19,20)/b7-4+,18-10+
InChIKey FSHWJQZOJIGHCI-UOMISXDJSA-N
SMILES C1=CC=CC=C1\C=C\C=N\C1=C(Cl)C=CC(C(=O)O)=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.910599