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anti-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
SpectraBase Compound ID 4S0qZWXH26t
InChI InChI=1S/C10H20O2S/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h7-8,11-12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey NJYLPPXJJQXQPR-HTQZYQBOSA-N
Mol Weight 204.33 g/mol
Molecular Formula C10H20O2S
Exact Mass 204.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFlidiiRhNh
Name anti-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
Alternate Name(s) (4S,5S)-3,3,6,6-Tetramethyl-thiepane-4,5-diol 1,6-anhydro-2,5-dideoxy-2,2,5,5-tetramethyl-1-thiohexitol syn-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
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Formula C10H20O2S
InChI InChI=1S/C10H20O2S/c1-9(2)5-13-6-10(3,4)8(12)7(9)11/h7-8,11-12H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey NJYLPPXJJQXQPR-HTQZYQBOSA-N
Molecular Weight 204.328 g/mol
SMILES O[C@@]1([C@](C(CSCC1(C)C)(C)C)(O)[H])[H]
SPLASH splash10-0019-4900000000-b54a7b629728e2431979
Source of Spectrum KC-0-3482-9
Wiley ID 823909