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7-(4-acetylphenyl)-3-keto-hept-6-ynoic acid methyl ester
SpectraBase Compound ID HiZHOU7IgqC
InChI InChI=1S/C16H16O4/c1-12(17)14-9-7-13(8-10-14)5-3-4-6-15(18)11-16(19)20-2/h7-10H,4,6,11H2,1-2H3
InChIKey SRDTVTTWHLSPLS-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cbf9HWjl8wr
Name 7-(4-acetylphenyl)-3-keto-hept-6-ynoic acid methyl ester
Alternate Name(s) 7-(4-acetylphenyl)-3-oxo-6-heptynoic acid methyl ester Methyl 7-(4-acetylphenyl)-3-oxo-hept-6-ynoate Methyl 7-(4-ethanoylphenyl)-3-oxidanylidene-hept-6-ynoate
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Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-12(17)14-9-7-13(8-10-14)5-3-4-6-15(18)11-16(19)20-2/h7-10H,4,6,11H2,1-2H3
InChIKey SRDTVTTWHLSPLS-UHFFFAOYSA-N
Molecular Weight 272.300 g/mol
SMILES C(#CCCC(CC(=O)OC)=O)c1ccc(C(=O)C)cc1
SPLASH splash10-0002-0940000000-6caf3b1161462555ee87
Source of Spectrum J-62-5332-1
Wiley ID 1276297