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3-Phenylisocoumarin

View entire compound with spectra: 3 NMR, 1 FTIR, 1 UV-Vis, and 5 MS (GC)

3-Phenylisocoumarin
SpectraBase Compound ID 3iA3USxBjus
InChI InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h1-10H
InChIKey GDHDASZYFUIDMH-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C15H10O2
Exact Mass 222.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5POhuLGY54L
Name 3-Phenylisocoumarin
CAS Registry Number 4809-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10O2
InChI InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)10-14(17-15)11-6-2-1-3-7-11/h1-10H
InChIKey GDHDASZYFUIDMH-UHFFFAOYSA-N
Molecular Weight 222.243 g/mol
SMILES C1(=O)c2c(cccc2)C=C(c2ccccc2)O1
SPLASH splash10-00dl-0960000000-2349cd9d5bea36f41b8a
Source of Spectrum J-53-4681-33
Synonyms 3-Phenyl-1H-isochromen-1-one 1-Oxo-3-phenyl-1H-benzo(c)pyran 3-Phenyl-1H-2-benzopyran-1-one 3-Phenyl-2-benzopyran-1-one 3-Phenylisochromen-1-one
Wiley ID 1223064