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4,8,8-Trimethyl-4-(methoxycarbonyl)bicyclo[3.2.1]octan-1,7-diol
SpectraBase Compound ID 8oAJx2bpjXX
InChI InChI=1S/C13H22O4/c1-11(2)8-7-9(14)13(11,16)6-5-12(8,3)10(15)17-4/h8-9,14,16H,5-7H2,1-4H3/t8-,9?,12-,13-/m1/s1
InChIKey MICSJSHMMKLGGY-HVMURFQRSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85lOvWPgdML
Name 4,8,8-Trimethyl-4-(methoxycarbonyl)bicyclo[3.2.1]octan-1,7-diol
Alternate Name(s) (1S,4R,5R)-4,8,8-Trimethyl-4-(methoxycarbonyl)bicyclo[3.2.1]octan-1,7-diol Methyl 5,6-dihydroxy-2,8,8-trimethylbicyclo[3.2.1]octane-2-carboxylate
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Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-11(2)8-7-9(14)13(11,16)6-5-12(8,3)10(15)17-4/h8-9,14,16H,5-7H2,1-4H3/t8-,9?,12-,13-/m1/s1
InChIKey MICSJSHMMKLGGY-HVMURFQRSA-N
Molecular Weight 242.315 g/mol
SMILES O[C@]12C([C@@](CC2O)([C@@](CC1)(C(=O)OC)C)[H])(C)C
SPLASH splash10-0296-0960000000-4bd4158b70d01f2a2d77
Source of Spectrum F-52-12452-13
Wiley ID 798968