| SpectraBase Spectrum ID |
5Sm2yFkfRMR |
| Name |
(2S,4S)-1-(1',3'-Dithian-2'-ylidene)-4,5-epoxypentan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.043522037 u |
| Formula |
C9H14O2S2 |
| InChI |
InChI=1S/C9H14O2S2/c10-7(4-8-6-11-8)5-9-12-2-1-3-13-9/h5,7-8,10H,1-4,6H2/t7-,8-/m0/s1 |
| InChIKey |
KHCIZIZQLQRYOQ-YUMQZZPRSA-N |
| Molecular Weight |
218.329 g/mol |
| SMILES |
C1(=C[C@](C[C@@]2(OC2)[H])(O)[H])SCCCS1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921473 |
