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4-Acetyl-3-(phenyl)-isocoumarin

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Acetyl-3-(phenyl)-isocoumarin
SpectraBase Compound ID JKYMYqabW5D
InChI InChI=1S/C17H12O3/c1-11(18)15-13-9-5-6-10-14(13)17(19)20-16(15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey HHBKSVMBZCQDGK-UHFFFAOYSA-N
Mol Weight 264.28 g/mol
Molecular Formula C17H12O3
Exact Mass 264.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7N8PEjAwm6
Name 4-Acetyl-3-(phenyl)-isocoumarin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O3
InChI InChI=1S/C17H12O3/c1-11(18)15-13-9-5-6-10-14(13)17(19)20-16(15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey HHBKSVMBZCQDGK-UHFFFAOYSA-N
Molecular Weight 264.280 g/mol
SMILES C1(=C(c2ccccc2C(O1)=O)C(=O)C)c1ccccc1
SPLASH splash10-03di-1390000000-02ec5f0de6845a010250
Source of Spectrum F-59-2077-4l
Synonyms 4-Acetyl-3-phenyl-2-benzopyran-1-one 4-Acetyl-3-phenylisochromen-1-one 4-Acetyl-3-phenyl-isochromen-1-one 4-Ethanoyl-3-phenyl-isochromen-1-one
Wiley ID 1677376