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Butanoic acid, docosyl ester
SpectraBase Compound ID EbCsaSTJzy2
InChI InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26(27)24-4-2/h3-25H2,1-2H3
InChIKey VCZVPMCCBMEIIG-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C26H52O2
Exact Mass 396.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aQMKRDCmVj
Name Butanoic acid, docosyl ester
CAS Registry Number 55373-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28-26(27)24-4-2/h3-25H2,1-2H3
InChIKey VCZVPMCCBMEIIG-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
SMILES C(CCC)(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-000i-9000000000-64312d01aae0ac4e7cc4
Source of Spectrum JX-2015-6-5797
Synonyms Docosyl butyrate Butyric acid behenyl ester Docosyl butanoate N-Docosyl n-butanoate Butanoic acid docosyl ester
Wiley ID 1729249