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Hexadecyl 2-methylpropanoate
SpectraBase Compound ID 7OomMoPldBD
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h19H,4-18H2,1-3H3
InChIKey JGSMJEVTJYVWKT-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 5E7FAfsfxaY
Name Isobutyric acid, hexadecyl ester
CAS Registry Number 25553-23-5
Classification Fatty alcohol esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 312.302830526 u
Formula C20H40O2
InChI InChI=1S/C20H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19(2)3/h19H,4-18H2,1-3H3
InChIKey JGSMJEVTJYVWKT-UHFFFAOYSA-N
Molecular Weight 312.538 g/mol
Number of Peaks 16
SMILES C(C(C)C)(=O)OCCCCCCCCCCCCCCCC
SPLASH splash10-0076-9000000000-bd3dbf6975cb3204b39f
Source of Spectrum FF-29-257-257_8 (DOI: 10.1002/ffj.3205)
Synonyms Hexadecyl 2-methylpropanoate Hexadecyl isobutyrate 2-Methylpropanoic acid hexadecyl ester
Wiley ID 1775723