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3-Isochromanone
SpectraBase Compound ID 4v7XVtB8Osk
InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ucga5NMOmS
Name 3H-2-Benzopyran-3-one, 1,4-dihydro-
CAS Registry Number 4385-35-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2
InChI InChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
Molecular Weight 148.161 g/mol
SMILES C1(OCc2c(C1)cccc2)=O
SPLASH splash10-0udi-3900000000-eed0534329aa16af375e
Source of Spectrum Y-32-76-6
Synonyms 1,4-Dihydro-3H-2-benzopyran-3-one 1,4-Dihydro-3H-isochromen-3-one 1,4-Dihydroisochromen-3-one 3,4-Dihydro-1H-2-benzopyran-3-one 3-Isochromanone isochroman-3-one EINECS 224-493-9
Wiley ID 1145521