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Hexanoic acid, octadecyl ester

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

Hexanoic acid, octadecyl ester
SpectraBase Compound ID AnhyxzXPRai
InChI InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-6-4-2/h3-23H2,1-2H3
InChIKey GQKMJPMHAWIENG-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C24H48O2
Exact Mass 368.365431 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K4dcOP7KyGJ
Name Hexanoic acid, octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.365430784 u
Formula C24H48O2
InChI InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26-24(25)22-20-6-4-2/h3-23H2,1-2H3
InChIKey GQKMJPMHAWIENG-UHFFFAOYSA-N
Molecular Weight 368.646 g/mol
SMILES CCCCCCCCCCCCCCCCCCOC(=O)CCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954602