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4-Chlorobutyric acid, 3-methylphenyl ester

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4-Chlorobutyric acid, 3-methylphenyl ester
SpectraBase Compound ID 3NHXXBPffHo
InChI InChI=1S/C11H13ClO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChIKey SYJCUBZSARZMMM-UHFFFAOYSA-N
Mol Weight 212.68 g/mol
Molecular Formula C11H13ClO2
Exact Mass 212.060407 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dfklz1p5nB5
Name 4-Chlorobutyric acid, 3-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.060407357 u
Formula C11H13ClO2
InChI InChI=1S/C11H13ClO2/c1-9-4-2-5-10(8-9)14-11(13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChIKey SYJCUBZSARZMMM-UHFFFAOYSA-N
Molecular Weight 212.676 g/mol
SMILES C(CC(=O)OC=1C=CC=C(C)C1)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.866678