| SpectraBase Spectrum ID |
6LMs7skeDx1 |
| Name |
1,7,7-Trimethylnorbornane-2-thiol |
| 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/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8?,10+/m0/s1 |
| InChIKey |
YZBDTMJKESVEBP-HKJUDDBKSA-N |
| Molecular Weight |
170.314 g/mol |
| SMILES |
[C@]12(C(C[C@](CC2)(C1(C)C)[H])S)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962854 |
