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Heptadecanoic acid, 3-oxo-, methyl ester
SpectraBase Compound ID 676k0DLQQJt
InChI InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21-2/h3-16H2,1-2H3
InChIKey BBOBPQAONAMWMU-UHFFFAOYSA-N
Mol Weight 298.5 g/mol
Molecular Formula C18H34O3
Exact Mass 298.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A17tKnYk2ma
Name Heptadecanoic acid, 3-oxo-, methyl ester
Alternate Name(s) Methyl 3-oxoheptadecanoate 3-ketoheptadecanoic acid methyl ester 3-Oxoheptadecanoic acid methyl ester Methyl 3-oxidanylideneheptadecanoate
CAS Registry Number 54934-65-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34O3
InChI InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21-2/h3-16H2,1-2H3
InChIKey BBOBPQAONAMWMU-UHFFFAOYSA-N
Molecular Weight 298.467 g/mol
SMILES C(CCCCCCCCCCCCC)C(CC(OC)=O)=O
SPLASH splash10-014i-9710000000-d05c2f77f1f95ceec923
Source of Spectrum A-0-0-218
Wiley ID 1301223