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(3aS,7R,7aS)-7,7a-dimethyl-1,3,3a,4,6,7-hexahydroindene-2,5-dione
SpectraBase Compound ID 5tesNlCw49j
InChI InChI=1S/C11H16O2/c1-7-3-9(12)4-8-5-10(13)6-11(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8+,11+/m1/s1
InChIKey MWJBJWXTDFGTFO-FYBVGQRMSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6wgWI4Ur1L
Name (3aS,7R,7aS)-7,7a-dimethyl-1,3,3a,4,6,7-hexahydroindene-2,5-dione
Alternate Name(s) (3aS,7R,7aS)-7,7a-dimethyl-1,3,3a,4,6,7-hexahydroindene-2,5-quinone (3aS,7R,7aS)-7,7a-dimethyltetrahydro-1H-indene-2,5(3H,4H)-dione
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Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-7-3-9(12)4-8-5-10(13)6-11(7,8)2/h7-8H,3-6H2,1-2H3/t7-,8+,11+/m1/s1
InChIKey MWJBJWXTDFGTFO-FYBVGQRMSA-N
Molecular Weight 180.247 g/mol
SMILES [C@@]12([C@@](CC(C[C@]2(C)[H])=O)(CC(C1)=O)[H])C
SPLASH splash10-014i-9300000000-1f4ec94907b20775e814
Source of Spectrum K-2001-2045-12
Wiley ID 1579509