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Methyl 2-(phenylbuta-1,3-diynyl)benzoate
SpectraBase Compound ID 7Q2dv21WTME
InChI InChI=1S/C18H12O2/c1-20-18(19)17-14-8-7-13-16(17)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13-14H,1H3
InChIKey KJHNETALQQRYQO-UHFFFAOYSA-N
Mol Weight 260.29 g/mol
Molecular Formula C18H12O2
Exact Mass 260.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Qd3O6L3icC
Name Methyl 2-(phenylbuta-1,3-diynyl)benzoate
Alternate Name(s) Methyl 2-(phenylbuta-1,3-diyn-1-yl)benzoate
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Formula C18H12O2
InChI InChI=1S/C18H12O2/c1-20-18(19)17-14-8-7-13-16(17)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13-14H,1H3
InChIKey KJHNETALQQRYQO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201900288
Molecular Weight 260.292 g/mol
SMILES c1cc(c(cc1)C#CC#Cc1ccccc1)C(=O)OC
SPLASH splash10-03di-0190000000-71694f0bef1766f3fcca
Source of Spectrum ASC-361-SM6-1a
Wiley ID 1819015