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p-Toluic acid, 5-pentadecyl ester

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

p-Toluic acid, 5-pentadecyl ester
SpectraBase Compound ID Ef2ZnU0WdW4
InChI InChI=1S/C23H38O2/c1-4-6-8-9-10-11-12-13-15-22(14-7-5-2)25-23(24)21-18-16-20(3)17-19-21/h16-19,22H,4-15H2,1-3H3
InChIKey DYRRFUKGTFPDPB-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5m5itsXmj2
Name p-Toluic acid, 5-pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-4-6-8-9-10-11-12-13-15-22(14-7-5-2)25-23(24)21-18-16-20(3)17-19-21/h16-19,22H,4-15H2,1-3H3
InChIKey DYRRFUKGTFPDPB-UHFFFAOYSA-N
Molecular Weight 346.555 g/mol
SMILES C1(=CC=C(C=C1)C(OC(CCCCCCCCCC)CCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.865693