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4-[p-Chlorophenyl]-2-oxo-3-butenoic acid

View entire compound with spectra: 1 FTIR

4-[p-Chlorophenyl]-2-oxo-3-butenoic acid
SpectraBase Compound ID 5tNseHI62sL
InChI InChI=1S/C10H7ClO3/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-6H,(H,13,14)/b6-3+
InChIKey RVSPZCGKZYTJOA-ZZXKWVIFSA-N
Mol Weight 210.62 g/mol
Molecular Formula C10H7ClO3
Exact Mass 210.008372 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HPACv7sFs27
Name 4-[p-Chlorophenyl]-2-oxo-3-butenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.008371782 u
Formula C10H7ClO3
InChI InChI=1S/C10H7ClO3/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-6H,(H,13,14)/b6-3+
InChIKey RVSPZCGKZYTJOA-ZZXKWVIFSA-N
Molecular Weight 210.616 g/mol
SMILES C(=O)(C(O)=O)\C=C\C1=CC=C(Cl)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86806