| SpectraBase Spectrum ID |
AzbV7ids8Vr |
| Name |
(2R,3S)-3-Hydroxy-2-thianecarboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
190.066365482 u |
| Formula |
C8H14O3S |
| InChI |
InChI=1S/C8H14O3S/c1-2-11-8(10)7-6(9)4-3-5-12-7/h6-7,9H,2-5H2,1H3/t6-,7+/m0/s1 |
| InChIKey |
FHUNONPZVJTAOO-NKWVEPMBSA-N |
| Molecular Weight |
190.257 g/mol |
| SMILES |
[C@]1([C@](CCCS1)(O)[H])(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935063 |
