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Methyl 2-oxononadec-10-ynoate
SpectraBase Compound ID DeZk0appC5j
InChI InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3
InChIKey PJTRRUACLWOCAD-UHFFFAOYSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjdP9Z6ve1Z
Name Methyl 2-oxononadec-10-ynoate
Alternate Name(s) 2-ketononadec-10-ynoic acid methyl ester 2-oxo-10-nonadecynoic acid methyl ester methyl 2-oxidanylidenenonadec-10-ynoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23-2/h3-9,12-18H2,1-2H3
InChIKey PJTRRUACLWOCAD-UHFFFAOYSA-N
Molecular Weight 322.489 g/mol
SMILES C(C(CCCCCCCC#CCCCCCCCC)=O)(=O)OC
SPLASH splash10-03di-0093000000-55c1cfb1e940a3de79f1
Source of Spectrum J-66-3609-11
Wiley ID 1535767