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ISOCOUMARIN
SpectraBase Compound ID FTHC6ER4tob
InChI InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7thuyoGDalP
Name 1H-2-benzopyran-1-one
CAS Registry Number 491-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6O2
InChI InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
Molecular Weight 146.145 g/mol
SMILES C1(c2c(cccc2)C=CO1)=O
SPLASH splash10-014j-3900000000-9a6845ec58690595bf97
Source of Spectrum J-53-4680-33
Synonyms 2-Benzopyran-1-one 3,4-Benzo-2-pyrone Benzoic acid, 2-(2-hydroxyethenyl)-, delta-lactone isochromen-1-one Isocoumarin
Wiley ID 1144320