| SpectraBase Spectrum ID |
2maEexV9fhb |
| Name |
2-Thiaadamantane-4,8-diol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.076536244 u |
| Formula |
C9H14OS |
| InChI |
InChI=1S/C9H14OS/c10-9-6-1-5-2-7(4-6)11-8(9)3-5/h5-10H,1-4H2/t5-,6+,7-,8+,9+/m1/s1 |
| InChIKey |
QYWXGQGTCFPNAY-DMAGGPPCSA-N |
| Molecular Weight |
170.270 g/mol |
| Nominal Mass |
170 u |
| SMILES |
O[C@@]1([C@]2(S[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901266 |
