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o-Anisic acid, 3-chloroprop-2-enyl ester

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

o-Anisic acid, 3-chloroprop-2-enyl ester
SpectraBase Compound ID LE97KgI1X8u
InChI InChI=1S/C11H11ClO3/c1-14-10-6-3-2-5-9(10)11(13)15-8-4-7-12/h2-7H,8H2,1H3/b7-4+
InChIKey WBWAKPXHPTXRTF-QPJJXVBHSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HzEv1x0rPeA
Name o-Anisic 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 226.039671911 u
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-14-10-6-3-2-5-9(10)11(13)15-8-4-7-12/h2-7H,8H2,1H3/b7-4+
InChIKey WBWAKPXHPTXRTF-QPJJXVBHSA-N
Molecular Weight 226.659 g/mol
SMILES C(=O)(OC\C=C\Cl)C=1C(OC)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944106