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p-Toluic acid, heptadecyl ester

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

p-Toluic acid, heptadecyl ester
SpectraBase Compound ID jMWTL371ca
InChI InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(26)24-20-18-23(2)19-21-24/h18-21H,3-17,22H2,1-2H3
InChIKey ZIDJGOJFZLDOFC-UHFFFAOYSA-N
Mol Weight 374.6 g/mol
Molecular Formula C25H42O2
Exact Mass 374.318481 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FrS998iGLMj
Name p-Toluic acid, heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.318480590 u
Formula C25H42O2
InChI InChI=1S/C25H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(26)24-20-18-23(2)19-21-24/h18-21H,3-17,22H2,1-2H3
InChIKey ZIDJGOJFZLDOFC-UHFFFAOYSA-N
Molecular Weight 374.609 g/mol
SMILES C1=C(C=CC(=C1)C(OCCCCCCCCCCCCCCCCC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888221