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5-Methyl-1,4,4a,5,6,8a-hexahydroisochromen-3-one
SpectraBase Compound ID xKq8MuNRUz
InChI InChI=1S/C10H14O2/c1-7-3-2-4-8-6-12-10(11)5-9(7)8/h2,4,7-9H,3,5-6H2,1H3
InChIKey HUFOJXLZSFEAOD-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5DKuH1M6U5
Name 5-Methyl-1,4,4a,5,6,8a-hexahydroisochromen-3-one
Alternate Name(s) 5-Methyl-1,4,4a,5,6,8a-hexahydro-3H-2-benzopyran-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O2
InChI InChI=1S/C10H14O2/c1-7-3-2-4-8-6-12-10(11)5-9(7)8/h2,4,7-9H,3,5-6H2,1H3
InChIKey HUFOJXLZSFEAOD-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES C12CC(=O)OCC2C=CCC1C
SPLASH splash10-0a4i-9200000000-8c5996987333fec2b543
Source of Spectrum QB-14-452-9
Wiley ID 841329