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Octadecanoic acid, docosyl ester
SpectraBase Compound ID 2HgNoe7XcPD
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-UHFFFAOYSA-N
Mol Weight 593.1 g/mol
Molecular Formula C40H80O2
Exact Mass 592.615832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7i1uZcjaYm1
Name Octadecanoic acid, docosyl ester
Alternate Name(s) Docosanyl octadecanoate Docosyl octadecanoate Docosyl stearate stearic acid behenyl ester Stearic acid, docosyl ester EINECS 244-971-0
CAS Registry Number 22413-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H80O2
InChI InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3
InChIKey SRKUMCYSWLWLLS-UHFFFAOYSA-N
Molecular Weight 593.078 g/mol
SMILES CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-052s-9220000000-fdd2877aff4981bef0b9
Source of Spectrum EP-5073-0-0
Wiley ID 1409553