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syn-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
SpectraBase Compound ID 8VunKH8q4hW
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+
InChIKey NJYLPPXJJQXQPR-OCAPTIKFSA-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 6QQ9LzBcpRT
Name syn-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
CAS Registry Number 56210-59-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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+
InChIKey NJYLPPXJJQXQPR-OCAPTIKFSA-N
Molecular Weight 204.328 g/mol
SMILES O[C@@]1([C@@](C(CSCC1(C)C)(C)C)(O)[H])[H]
SPLASH splash10-0kmr-9540000000-5a74ced873b4c4ffa90c
Source of Spectrum KC-0-3482-9
Synonyms (4S,5R)-3,3,6,6-tetramethylthiepane-4,5-diol (4S,5R)-3,3,6,6-Tetramethyl-thiepane-4,5-diol 1,6-anhydro-2,5-dideoxy-2,2,5,5-tetramethyl-1-thiohexitol anti-3,3,6,6-Tetramethylthiacycloheptane-4,5-diol
Wiley ID 823910