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m-Toluic acid, 2-tetradecyl ester

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

m-Toluic acid, 2-tetradecyl ester
SpectraBase Compound ID AGKPLvpowzx
InChI InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)24-22(23)21-17-14-15-19(2)18-21/h14-15,17-18,20H,4-13,16H2,1-3H3
InChIKey FGUNFUYYPHRHCT-UHFFFAOYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EfgO1opE435
Name m-Toluic acid, 2-tetradecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.271530397 u
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-16-20(3)24-22(23)21-17-14-15-19(2)18-21/h14-15,17-18,20H,4-13,16H2,1-3H3
InChIKey FGUNFUYYPHRHCT-UHFFFAOYSA-N
Molecular Weight 332.528 g/mol
SMILES C1=C(C=C(C=C1)C(OC(CCCCCCCCCCCC)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851296