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palmitic acid butyl ester

View entire compound with spectra: 1 NMR, 4 FTIR, and 10 MS (GC)

palmitic acid butyl ester
SpectraBase Compound ID At6Y4btFoQu
InChI InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey GLYJVQDYLFAUFC-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C20H40O2
Exact Mass 312.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsS79ZSiwyq
Name Hexadecanoic acid, butyl ester
CAS Registry Number 111-06-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
InChIKey GLYJVQDYLFAUFC-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
SMILES C(=O)(OCCCC)CCCCCCCCCCCCCCC
SPLASH splash10-0a4i-9020000000-c42a3cae33381baf0a61
Source of Spectrum Va-0-0-0
Synonyms Butyl ester of hexadecanoic acid Butyl hexadecanoate Butyl palmitate n-Butyl hexadecanoate n-Butyl palmitate palmitic acid butyl ester AI3-07959 EINECS 203-829-8 NSC 4815
Wiley ID 739841