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Isooctadecanoic acid

View entire compound with spectra: 1 MS (GC)

Isooctadecanoic acid
SpectraBase Compound ID FOQ4DF8PZ3Q
InChI InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey XDOFQFKRPWOURC-UHFFFAOYSA-N
Mol Weight 284.5 g/mol
Molecular Formula C18H36O2
Exact Mass 284.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3aLcyBXlEk
Name Isooctadecanoic acid
Alternate Name(s) isostearic acid
CAS Registry Number 30399-84-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H36O2
InChI InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
InChIKey XDOFQFKRPWOURC-UHFFFAOYSA-N
Molecular Weight 284.484 g/mol
SMILES OC(CCCCCCCCCCCCCCC(C)C)=O
SPLASH splash10-0abc-9410000000-d4ff55e0eec02049b9cb
Source of Spectrum JX-2011-67
Wiley ID 1660272