| SpectraBase Spectrum ID |
8qVYPBIF6F6 |
| Name |
Anti-(3S,5S)-3-mercapto-5-tridecanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.186086695 u |
| Formula |
C13H28OS |
| InChI |
InChI=1S/C13H28OS/c1-3-5-6-7-8-9-10-12(14)11-13(15)4-2/h12-15H,3-11H2,1-2H3/t12-,13-/m0/s1 |
| InChIKey |
JAOHFHDZLUFMKL-STQMWFEESA-N |
| Molecular Weight |
232.426 g/mol |
| SMILES |
CC[C@@](C[C@](CCCCCCCC)(O)[H])(S)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914236 |
