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7-keto-7-phenyl-hept-2-ynoic acid methyl ester

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7-keto-7-phenyl-hept-2-ynoic acid methyl ester
SpectraBase Compound ID 8VVm9aHuEYU
InChI InChI=1S/C14H14O3/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6,10H2,1H3
InChIKey BFJKQCMXNVSVPR-UHFFFAOYSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EndE34eOUo6
Name Methyl 7-oxo-7-phenylhept-2-ynoate
Alternate Name(s) 7-keto-7-phenyl-hept-2-ynoic acid methyl ester 7-Oxo-7-phenyl-2-heptynoic acid methyl ester Methyl 7-oxidanylidene-7-phenyl-hept-2-ynoate
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Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-17-14(16)11-7-3-6-10-13(15)12-8-4-2-5-9-12/h2,4-5,8-9H,3,6,10H2,1H3
InChIKey BFJKQCMXNVSVPR-UHFFFAOYSA-N
Molecular Weight 230.263 g/mol
SMILES C(#CCCCC(=O)c1ccccc1)C(=O)OC
SPLASH splash10-0adj-3900000000-595e62e33498e2987645
Source of Spectrum K1-2000-535-9
Wiley ID 749633