| SpectraBase Compound ID | JkeSCSRJqul |
|---|---|
| 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 |
| Mol Weight | 170.27 g/mol |
| Molecular Formula | C9H14OS |
| Exact Mass | 170.076536 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KHbSHn3tC4V |
|---|---|
| Name | 2-THIAADAMANTANE-4,8-DIOL |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H14O2S |
| 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 | 170.0762 |
| SMILES | O[C@]1([C@]2(C[C@]3(C[C@@]1(S[C@@](C2)(C3)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0f79-8900000000-a8c483986daabda8f6b3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |