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Phenylacetic acid, 3-chloroprop-2-enyl ester

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

Phenylacetic acid, 3-chloroprop-2-enyl ester
SpectraBase Compound ID DeJBfe0mfb2
InChI InChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
InChIKey PBULRLQIJUOCDV-QPJJXVBHSA-N
Mol Weight 210.66 g/mol
Molecular Formula C11H11ClO2
Exact Mass 210.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNpCHjL4Joa
Name Phenylacetic acid, 3-chloroprop-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.044757292 u
Formula C11H11ClO2
InChI InChI=1S/C11H11ClO2/c12-7-4-8-14-11(13)9-10-5-2-1-3-6-10/h1-7H,8-9H2/b7-4+
InChIKey PBULRLQIJUOCDV-QPJJXVBHSA-N
Molecular Weight 210.660 g/mol
SMILES C(=O)(OC\C=C\Cl)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958063