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p-Methyl-o-(phenylethynyl)phenyl Acetate
SpectraBase Compound ID CQAI0PING1W
InChI InChI=1S/C17H14O2/c1-13-8-11-17(19-14(2)18)16(12-13)10-9-15-6-4-3-5-7-15/h3-8,11-12H,1-2H3
InChIKey NSTOCYVAPADHAX-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 Aiu26yHTUTy
Name p-Methyl-o-(phenylethynyl)phenyl Acetate
Alternate Name(s) 4-Methyl-2-(phenylethynyl)phenyl acetate Acetic acid[4-methyl-2-(2-phenylethynyl)phenyl]ester [4-methyl-2-(2-phenylethynyl)phenyl]acetate [4-methyl-2-(2-phenylethynyl)phenyl]ethanoate [4-methyl-2-(2-phenylethynyl)phenyl] acetate [4-methyl-2-(2-phenylethynyl)phenyl] ethanoate
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Formula C17H14O2
InChI InChI=1S/C17H14O2/c1-13-8-11-17(19-14(2)18)16(12-13)10-9-15-6-4-3-5-7-15/h3-8,11-12H,1-2H3
InChIKey NSTOCYVAPADHAX-UHFFFAOYSA-N
Molecular Weight 250.297 g/mol
SMILES C(#Cc1ccccc1)c1c(OC(=O)C)ccc(c1)C
SPLASH splash10-0a4i-0090000000-bb076200287b4336e96f
Source of Spectrum J-61-9286-12
Wiley ID 1254026