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Bicyclo[3.1.1]heptane, 6-[(1-methylethyl)thio]-, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID y5GbBMhYbM
InChI InChI=1S/C10H18S/c1-7(2)11-10-8-4-3-5-9(10)6-8/h7-10H,3-6H2,1-2H3/t8-,9+,10-
InChIKey WULQKMJQKVNYGZ-ILWJIGKKSA-N
Mol Weight 170.31 g/mol
Molecular Formula C10H18S
Exact Mass 170.112922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 364j3zHfX5v
Name Bicyclo[3.1.1]heptane, 6-[(1-methylethyl)thio]-, (1.alpha.,5.alpha.,6.beta.)-
Alternate Name(s) (1R,5S)-6-(isopropylsulfanyl)bicyclo[3.1.1]heptane (1R,5S)-bicyclo[3.1.1]hept-6-yl isopropyl sulfide 6-endo-(isopropyethio)norpinan
CAS Registry Number 67079-39-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18S
InChI InChI=1S/C10H18S/c1-7(2)11-10-8-4-3-5-9(10)6-8/h7-10H,3-6H2,1-2H3/t8-,9+,10-
InChIKey WULQKMJQKVNYGZ-ILWJIGKKSA-N
Molecular Weight 170.314 g/mol
SMILES [C@]1([C@]2(CCC[C@@]1(C2)[H])[H])(SC(C)C)[H]
SPLASH splash10-00b9-4900000000-1d04720ec060cd210028
Source of Spectrum K-111-1933-0
Wiley ID 1167337