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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 ANZCozEsnAK
Name OCTADECANOIC ACID, OCTYL ESTER
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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
Instrument Name 8230
Molecular Weight 396.3954
SMILES CCCCCCCCCCCCCCCCCC(OCCCCCCCC)=O
SPLASH splash10-0buc-9210000000-2ec3b96aaa47dc40cd88
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany