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Stearic acid, octyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 4 MS (GC)

Stearic acid, octyl ester
SpectraBase Compound ID LFAWlx8eNI4
InChI InChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3
InChIKey IIGMITQLXAGZTL-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 KlTynRc8NpE
Name Octadecanoic acid, octyl ester
CAS Registry Number 109-36-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H52O2
InChI InChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3
InChIKey IIGMITQLXAGZTL-UHFFFAOYSA-N
Molecular Weight 396.700 g/mol
SMILES CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC
SPLASH splash10-0buc-9220000000-c2667371e1e73ccd5e77
Source of Spectrum EP-5211-0-0
Synonyms Octyl octadecanoate Octyl stearate stearic acid octyl ester AI3-31618 EINECS 203-666-2
Wiley ID 1367721