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o-Toluic acid, cyclopentyl ester

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o-Toluic acid, cyclopentyl ester
SpectraBase Compound ID KkO7KGFgJwu
InChI InChI=1S/C13H16O2/c1-10-6-2-5-9-12(10)13(14)15-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKey IQJXTQXALQFMNN-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xJSeLfNFYG
Name o-Toluic acid, cyclopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-10-6-2-5-9-12(10)13(14)15-11-7-3-4-8-11/h2,5-6,9,11H,3-4,7-8H2,1H3
InChIKey IQJXTQXALQFMNN-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(CCCC1)OC(C1=C(C=CC=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.93048