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(3R,4AS,8S,8AR)-8-HYDROXY-3-METHYL-3,4,4A,5,6,7,8,8A-OCTAHYDRO-1H-2-BENZOPYRAN-1-ONE
SpectraBase Compound ID HAwAXmCUKys
InChI InChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1
InChIKey MXMDZXIALPKANE-RYPBNFRJSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FQkLixiMjh
Name (3R,4aS,8S,8aR)-3-methyl-8-oxidanyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h6-9,11H,2-5H2,1H3/t6-,7+,8+,9-/m1/s1
InChIKey MXMDZXIALPKANE-RYPBNFRJSA-N
Molecular Weight 184.235 g/mol
SMILES O[C@@]1([C@@]2(C(O[C@@](C[C@@]2(CCC1)[H])(C)[H])=O)[H])[H]
SPLASH splash10-03di-0900000000-05e48986b5446cb4c030
Source of Spectrum G4-58-1765-3
Synonyms (3R,4aS,8S,8aR)-8-hydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydro-2-benzopyran-1-one (3R,4aS,8S,8aR)-8-hydroxy-3-methyl-3,4,4a,5,6,7,8,8a-octahydroisochromen-1-one
Wiley ID 1606062