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(3S,3aS,9bR)-3,6,9-trimethyl-8-oxidanyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
SpectraBase Compound ID 9qOL3doE9BO
InChI InChI=1S/C15H18O3/c1-7-6-12(16)9(3)13-10(7)4-5-11-8(2)15(17)18-14(11)13/h6,8,11,14,16H,4-5H2,1-3H3/t8-,11-,14+/m0/s1
InChIKey ZLKGXNSQDUJSAU-YLGCSUCGSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94znhTfANtd
Name (3S,3aS,9bR)-3,6,9-trimethyl-8-oxidanyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
Alternate Name(s) (3S,3aS,9bR)-8-hydroxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2-one (3S,3aS,9bR)-8-hydroxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
CAS Registry Number 5951-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-7-6-12(16)9(3)13-10(7)4-5-11-8(2)15(17)18-14(11)13/h6,8,11,14,16H,4-5H2,1-3H3/t8-,11-,14+/m0/s1
InChIKey ZLKGXNSQDUJSAU-YLGCSUCGSA-N
Molecular Weight 246.306 g/mol
SMILES Oc1c(c2[C@@]3(OC(=O)[C@]([C@@]3(CCc2c(C)c1)[H])(C)[H])[H])C
SPLASH splash10-00di-0930000000-ef04b2765631aa4a75be
Source of Spectrum T-67-3057-0
Wiley ID 1249174