| SpectraBase Spectrum ID |
1ZcWhSLJ8wt |
| Name |
3-beta-Methyl-cis-1-thiadecalin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.112921754 u |
| Formula |
C10H18S |
| InChI |
InChI=1S/C10H18S/c1-8-6-9-4-2-3-5-10(9)11-7-8/h8-10H,2-7H2,1H3/t8-,9-,10-/m1/s1 |
| InChIKey |
KPTUIJXZTCIOCQ-OPRDCNLKSA-N |
| Molecular Weight |
170.314 g/mol |
| SMILES |
[C@]12(SC[C@@](C[C@]2(CCCC1)[H])(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873745 |
