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3-Chlorobenzoic acid, isopropyl ester
SpectraBase Compound ID Bm6zZXUeY6J
InChI InChI=1S/C10H11ClO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKey WDIWPDMGFDKALY-UHFFFAOYSA-N
Mol Weight 198.65 g/mol
Molecular Formula C10H11ClO2
Exact Mass 198.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1bx7ow94wyo
Name 3-Chlorobenzoic acid, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.044757292 u
Formula C10H11ClO2
InChI InChI=1S/C10H11ClO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,1-2H3
InChIKey WDIWPDMGFDKALY-UHFFFAOYSA-N
Molecular Weight 198.649 g/mol
SMILES C1=C(C=CC=C1Cl)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.886114