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(3aR,4S,7aS)-3a,7a-dimethyl-4-oxidanyl-2,3,4,5,6,7-hexahydroinden-1-one

View entire compound with spectra: 1 MS (GC)

(3aR,4S,7aS)-3a,7a-dimethyl-4-oxidanyl-2,3,4,5,6,7-hexahydroinden-1-one
SpectraBase Compound ID E1DaWMhdl43
InChI InChI=1S/C11H18O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h8,12H,3-7H2,1-2H3/t8-,10+,11-/m0/s1
InChIKey NMKDLFHRWGOBSA-GDPRMGEGSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WbuT1bZ47D
Name (3aR,4S,7aS)-3a,7a-dimethyl-4-oxidanyl-2,3,4,5,6,7-hexahydroinden-1-one
Alternate Name(s) (3aR,4S,7aS)-4-hydroxy-3a,7a-dimethyl-2,3,4,5,6,7-hexahydroinden-1-one
CAS Registry Number 71277-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-10-6-3-4-8(12)11(10,2)7-5-9(10)13/h8,12H,3-7H2,1-2H3/t8-,10+,11-/m0/s1
InChIKey NMKDLFHRWGOBSA-GDPRMGEGSA-N
Molecular Weight 182.263 g/mol
SMILES O[C@@]1([C@]2([C@@](C(=O)CC2)(CCC1)C)C)[H]
SPLASH splash10-0bu3-8900000000-65d2ab8242f9d6a8608e
Source of Spectrum J-44-3669-0
Wiley ID 1178713