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Methyl 3-(p-tolylethynyl)benzoate
SpectraBase Compound ID 8hYIYhjAmfo
InChI InChI=1S/C17H14O2/c1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-15)17(18)19-2/h3-9,12H,1-2H3
InChIKey NHGNMJORHSFYIT-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C17H14O2
Exact Mass 250.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUQJP8yUr5c
Name Methyl 3-(p-tolylethynyl)benzoate
Alternate Name(s) 3-[2-(4-methylphenyl)ethynyl]benzoic acid methyl ester Methyl 3-[2-(p-tolyl)ethynyl]benzoate Methyl 3-[2-(4-methylphenyl)ethynyl]benzoate
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Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-15)17(18)19-2/h3-9,12H,1-2H3
InChIKey NHGNMJORHSFYIT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200600498
Molecular Weight 250.297 g/mol
SMILES C(c1cc(ccc1)C#Cc1ccc(cc1)C)(=O)OC
SPLASH splash10-0udi-0290000000-e0b8c51005b6a670c739
Source of Spectrum ASC-349-1741-3b
Wiley ID 1765323