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3,4-Dihydro-1H-isochromen-1-one
SpectraBase Compound ID K4EKuRyXBTb
InChI InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
InChIKey XVTAQSGZOGYIEY-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 3sAtQInw7Ka
Name 3,4-Dihydro-1H-isochromen-1-one
CAS Registry Number 4702-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O2
InChI InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
InChIKey XVTAQSGZOGYIEY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200303131
Molecular Weight 148.161 g/mol
SMILES C1(OCCc2ccccc12)=O
SPLASH splash10-00dm-3900000000-5bcbb8480d053fce3d85
Source of Spectrum ASC-345-1272-1272_1
Synonyms 3,4,4a,8a-Tetrahydroisochroman-1-one 1H-2-Benzopyran-1-one, 3,4-dihydro- 3,4-Dihydro-1H-2-benzopyran-1-one Isochroman-1-one 3,4-Dihydroisochromen-1-one Dihydroisocoumarin EINECS 225-179-4
Wiley ID 1767359