| SpectraBase Spectrum ID |
F3abMN6NvaC |
| Name |
S-Tert-butyl (2R*,3R*)-2-butyl-3-hydroxy-4-pentenethioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.149701185 u |
| Formula |
C13H24O2S |
| InChI |
InChI=1S/C13H24O2S/c1-6-8-9-10(11(14)7-2)12(15)16-13(3,4)5/h7,10-11,14H,2,6,8-9H2,1,3-5H3/t10-,11-/m1/s1 |
| InChIKey |
KYQMNTYLRUMIJV-GHMZBOCLSA-N |
| Molecular Weight |
244.393 g/mol |
| SMILES |
C([C@@]([C@@](C=C)(O)[H])(CCCC)[H])(SC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815816 |
