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trans-3-Methyl-cis-4-methyl-cis-pinane
SpectraBase Compound ID FGaRCdQlDS0
InChI InChI=1S/C12H22/c1-7-8(2)10-6-11(9(7)3)12(10,4)5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11-/m1/s1
InChIKey BALHUJVTDOQJPU-RCZSTQMZSA-N
Mol Weight 166.31 g/mol
Molecular Formula C12H22
Exact Mass 166.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KtBiuvPbBGQ
Name trans-3-Methyl-cis-4-methyl-cis-pinane
Alternate Name(s) (1R,2R,4S,5R)-2,3,4,6,6-pentamethylbicyclo[3.1.1]heptane
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Formula C12H22
InChI InChI=1S/C12H22/c1-7-8(2)10-6-11(9(7)3)12(10,4)5/h7-11H,6H2,1-5H3/t7-,8+,9-,10-,11-/m1/s1
InChIKey BALHUJVTDOQJPU-RCZSTQMZSA-N
Molecular Weight 166.308 g/mol
SMILES [C@@]12(C(C)(C)[C@](C2)([C@@](C)([C@]([C@]1(C)[H])(C)[H])[H])[H])[H]
SPLASH splash10-053r-9100000000-8b8c926b75bc05257abb
Source of Spectrum AC-1976-1822-0
Wiley ID 1163309