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Trans-cinnamic acid, o-chlorophenyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

Trans-cinnamic acid, o-chlorophenyl ester
SpectraBase Compound ID BpdikraBP5G
InChI InChI=1S/C15H11ClO2/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKey AHQNHGCLKSVDSP-ZHACJKMWSA-N
Mol Weight 258.7 g/mol
Molecular Formula C15H11ClO2
Exact Mass 258.044757 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3z5rdeKop0T
Name Trans-cinnamic acid, o-chlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.044757292 u
Formula C15H11ClO2
InChI InChI=1S/C15H11ClO2/c16-13-8-4-5-9-14(13)18-15(17)11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKey AHQNHGCLKSVDSP-ZHACJKMWSA-N
Molecular Weight 258.704 g/mol
SMILES C=1C(=CC=CC1)\C=C\C(OC=1C(=CC=CC1)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.992935