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Octadecyloctanoate
SpectraBase Compound ID K2aYCosgcZa
InChI InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3
InChIKey VNLRTFSQCPNNIM-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 4x3ZA4LRFDU
Name Octadecyl octanoate
Alternate Name(s) caprylic acid stearyl ester Octanoic acid octadecyl ester
CAS Registry Number 18312-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3
InChIKey VNLRTFSQCPNNIM-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
SMILES CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-052b-9610000000-827115eee7a418f50bdb
Source of Spectrum HE-1986-2183-0
Wiley ID 1367725