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Octyl 12-hydroxyoctadecanoate

View entire compound with spectra: 2 MS (GC)

Octyl 12-hydroxyoctadecanoate
SpectraBase Compound ID 6rwHlQanqti
InChI InChI=1S/C26H52O3/c1-3-5-7-9-16-20-24-29-26(28)23-19-15-13-11-10-12-14-18-22-25(27)21-17-8-6-4-2/h25,27H,3-24H2,1-2H3
InChIKey ASUSBOZIBYQNDS-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C26H52O3
Exact Mass 412.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IfNQKYIts
Name Octyl 12-hydroxyoctadecanoate
Alternate Name(s) 12-hydroxyoctadecanoic acid octyl ester 12-hydroxystearic acid octyl ester Octyl 12-oxidanyloctadecanoate
CAS Registry Number 74819-90-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H52O3
InChI InChI=1S/C26H52O3/c1-3-5-7-9-16-20-24-29-26(28)23-19-15-13-11-10-12-14-18-22-25(27)21-17-8-6-4-2/h25,27H,3-24H2,1-2H3
InChIKey ASUSBOZIBYQNDS-UHFFFAOYSA-N
Molecular Weight 412.699 g/mol
SMILES OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCC
SPLASH splash10-0a4m-9410000000-fcc6582d98706e46ca49
Wiley ID 1482789