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(3S,4aS,8aS)-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1-benzopyran-2-one
SpectraBase Compound ID 1qotVoTME5X
InChI InChI=1S/C10H16O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h7-9H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey BBWMRYKWXTUWHH-CIUDSAMLSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3J98bEhGM4
Name (3S,4aS,8aS)-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h7-9H,2-6H2,1H3/t7-,8-,9-/m0/s1
InChIKey BBWMRYKWXTUWHH-CIUDSAMLSA-N
Molecular Weight 168.236 g/mol
SMILES C1(O[C@]2(CCCC[C@]2(C[C@@]1(C)[H])[H])[H])=O
SPLASH splash10-00lr-9000000000-1c2567a8e9d73f2bccab
Source of Spectrum QC-10-1252-11
Synonyms (3S,4aS,8aS)-3-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
Wiley ID 871307