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Methyl (+,-)-1b-t-butoxy-6b,7ab-dimethyl-5-oxo-2,3,3aa,4,5,6,7,7a-octahydro-1H-indene-6-carboxylate
SpectraBase Compound ID 6jnNBXtHpgt
InChI InChI=1S/C17H28O4/c1-9-10(2)15(21-17(3,4)5)12-8-14(18)13(7-11(9)12)16(19)20-6/h9-13,15H,7-8H2,1-6H3/t9-,10?,11+,12?,13-,15?/m0/s1
InChIKey BKKJUAALJPTJQD-SZVYJZHISA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID OHrVLAuUpr
Name Methyl (+,-)-1b-t-butoxy-6b,7ab-dimethyl-5-oxo-2,3,3aa,4,5,6,7,7a-octahydro-1H-indene-6-carboxylate
Alternate Name(s) Methyl (3R,3aR,5S)-1-tert-butoxy-2,3-dimethyl-6-oxooctahydro-1H-indene-5-carboxylate
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Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-9-10(2)15(21-17(3,4)5)12-8-14(18)13(7-11(9)12)16(19)20-6/h9-13,15H,7-8H2,1-6H3/t9-,10?,11+,12?,13-,15?/m0/s1
InChIKey BKKJUAALJPTJQD-SZVYJZHISA-N
Molecular Weight 296.407 g/mol
SMILES C12[C@@]([C@@](C)(C(C2OC(C)(C)C)C)[H])(C[C@@](C(C1)=O)(C(=O)OC)[H])[H]
SPLASH splash10-0a4i-9800000000-d162be22b1335c9ed9a9
Source of Spectrum B-45-71-0
Wiley ID 1299203