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12-ketoheptadec-13-ynoic acid methyl ester
SpectraBase Compound ID KN4y4b5a4oL
InChI InChI=1S/C18H30O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h3-10,12-13,15-16H2,1-2H3
InChIKey KLWSLEXUJZRTID-UHFFFAOYSA-N
Mol Weight 294.44 g/mol
Molecular Formula C18H30O3
Exact Mass 294.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMikPfKck5E
Name 12-ketoheptadec-13-ynoic acid methyl ester
Alternate Name(s) 12-oxo-13-heptadecynoic acid methyl ester Methyl 12-oxidanylideneheptadec-13-ynoate Methyl 12-oxoheptadec-13-ynoate
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Formula C18H30O3
InChI InChI=1S/C18H30O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h3-10,12-13,15-16H2,1-2H3
InChIKey KLWSLEXUJZRTID-UHFFFAOYSA-N
Molecular Weight 294.435 g/mol
SMILES C(CCCCCCCCCCC(C#CCCC)=O)(=O)OC
SPLASH splash10-0002-9000000000-d12c6ba70c9165301ce9
Source of Spectrum E1-36-1422-5
Wiley ID 1574681