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2-Hydroxymethyl-6,6-dimethyl-3-thiobenzylbicyclo[3.1.1]heptane
SpectraBase Compound ID CsSyVJVidj6
InChI InChI=1S/C17H24OS/c1-17(2)13-8-15(17)14(10-18)16(9-13)19-11-12-6-4-3-5-7-12/h3-7,13-16,18H,8-11H2,1-2H3/t13-,14+,15+,16+/m0/s1
InChIKey OKFGPVBDVAUFDY-ZJIFWQFVSA-N
Mol Weight 276.44 g/mol
Molecular Formula C17H24OS
Exact Mass 276.154787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOoxi7YIDQj
Name 2-Hydroxymethyl-6,6-dimethyl-3-thiobenzylbicyclo[3.1.1]heptane
Alternate Name(s) (1S,2R,3S)-2-Hydroxymethyl-6,6-dimethyl-1,3-thiobenzylbicyclo[3.1.1]heptane [3-(benzylsulfanyl)-6,6-dimethylbicyclo[3.1.1]hept-2-yl]methanol
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Formula C17H24OS
InChI InChI=1S/C17H24OS/c1-17(2)13-8-15(17)14(10-18)16(9-13)19-11-12-6-4-3-5-7-12/h3-7,13-16,18H,8-11H2,1-2H3/t13-,14+,15+,16+/m0/s1
InChIKey OKFGPVBDVAUFDY-ZJIFWQFVSA-N
Molecular Weight 276.438 g/mol
SMILES OC[C@@]1([C@@]2(C(C)(C)[C@@](C2)(C[C@]1(SCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-9210000000-ee77daeb455c407000e5
Source of Spectrum QC-12-3098-7
Wiley ID 1634807