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Methyl 4-[2'-phenylethynyl]-phenylacetate
SpectraBase Compound ID 4BDyBKBdJ8u
InChI InChI=1S/C17H14O2/c1-19-17(18)13-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3
InChIKey MVXBKKOVRCXACH-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 2EoEPcmbE9h
Name Methyl 4-[2'-phenylethynyl]-phenylacetate
Alternate Name(s) Methyl[4-(phenylethynyl)phenyl]acetate Methyl 2-[4-(2-phenylethynyl)phenyl]acetate Methyl 2-[4-(2-phenylethynyl)phenyl]ethanoate
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Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-19-17(18)13-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12H,13H2,1H3
InChIKey MVXBKKOVRCXACH-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C(#Cc1ccccc1)c1ccc(CC(=O)OC)cc1
SPLASH splash10-0f6x-2970000000-259b957858cc104e398b
Source of Spectrum SK-28-3650-4
Wiley ID 880122