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3-Phenyl-4-(2-phenylethynyl)-2-benzopyran-1-one
SpectraBase Compound ID 1CyQf2xzfOo
InChI InChI=1S/C23H14O2/c24-23-21-14-8-7-13-19(21)20(16-15-17-9-3-1-4-10-17)22(25-23)18-11-5-2-6-12-18/h1-14H
InChIKey PQJSGOXSURVLKL-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C23H14O2
Exact Mass 322.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FLCXtiIYWa
Name 3-Phenyl-4-(2-phenylethynyl)-2-benzopyran-1-one
Alternate Name(s) 3-Phenyl-4-(2-phenylethynyl)isochromen-1-one 3-Phenyl-4-(2-phenylethynyl)isocoumarin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14O2
InChI InChI=1S/C23H14O2/c24-23-21-14-8-7-13-19(21)20(16-15-17-9-3-1-4-10-17)22(25-23)18-11-5-2-6-12-18/h1-14H
InChIKey PQJSGOXSURVLKL-UHFFFAOYSA-N
Molecular Weight 322.363 g/mol
SMILES C1(=C(OC(c2c1cccc2)=O)c1ccccc1)C#Cc1ccccc1
SPLASH splash10-00di-0029000000-cdc0d7444cbc184795c9
Source of Spectrum J-60-3716-7
Wiley ID 1322183