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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 2ou2xgQa6rI
Name Butylhexadecanoate
CAS Registry Number 111-06-8
Classification Softener
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 312.302830526 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 312.538 g/mol
Nominal Mass 312 u
Quality 985
Retention Index 2191
SMILES C(CCCCCCCCCCCCCCC)(OCCCC)=O
SPLASH splash10-0a4l-9100000000-a52dc03868c9f51f2853
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Hexadecanoic acid butyl ester
Technique GC/MS
Wiley ID DD2024_000398