| SpectraBase Spectrum ID |
HJqOfipG9bS |
| Name |
Anti-3,3,6,6-tetramethylthiacycloheptane-4,5-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
204.118401056 u |
| 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 |
[C@@]1([C@](C(CSCC1(C)C)(C)C)(O)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830492 |
