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4-Methyl-1,4,4a,5,6,8a-Hexahydroisochromen-3-one
SpectraBase Compound ID 24s9vx5AlHW
InChI InChI=1S/C10H14O2/c1-7-9-5-3-2-4-8(9)6-12-10(7)11/h2,4,7-9H,3,5-6H2,1H3
InChIKey XUIJUVNKVKLHGG-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 4axh6b5zQMD
Name 4-Methyl-1,4,4a,5,6,8a-Hexahydroisochromen-3-one
Alternate Name(s) 4-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/c1-7-9-5-3-2-4-8(9)6-12-10(7)11/h2,4,7-9H,3,5-6H2,1H3
InChIKey XUIJUVNKVKLHGG-UHFFFAOYSA-N
Molecular Weight 166.220 g/mol
SMILES C1(C(C2CCC=CC2CO1)C)=O
SPLASH splash10-00di-4900000000-0321725418bed046299d
Source of Spectrum QB-14-452-9
Wiley ID 841330