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anti-(2RS,3SR)-3-Hydroxy-4,4-dimethyl-2-propylthiaolane
SpectraBase Compound ID I6YJ0kkFQ4V
InChI InChI=1S/C9H18OS/c1-4-5-7-8(10)9(2,3)6-11-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey OFAHANNJUFTMBI-HTQZYQBOSA-N
Mol Weight 174.3 g/mol
Molecular Formula C9H18OS
Exact Mass 174.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7yC74qrr0s
Name anti-(2RS,3SR)-3-Hydroxy-4,4-dimethyl-2-propylthiaolane
Alternate Name(s) (2R,3S)-4,4-dimethyl-2-propyltetrahydro-3-thiophenol
Comments Less than 3 mono-isotopic peaks
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Formula C9H18OS
InChI InChI=1S/C9H18OS/c1-4-5-7-8(10)9(2,3)6-11-7/h7-8,10H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey OFAHANNJUFTMBI-HTQZYQBOSA-N
Molecular Weight 174.302 g/mol
SMILES O[C@]1(C(CS[C@@]1(CCC)[H])(C)C)[H]
SPLASH splash10-00di-0900000000-3723059a6bb69079382f
Source of Spectrum K-2001-1509-27
Wiley ID 1579240