| SpectraBase Compound ID | Knh7NfFnmC1 |
|---|---|
| InChI | InChI=1S/C14H24S/c1-2-3-4-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3/t10-,11+,12-,13+,14- |
| InChIKey | CKQGELKXIBYKRP-RVOPOGNISA-N |
| Mol Weight | 224.41 g/mol |
| Molecular Formula | C14H24S |
| Exact Mass | 224.159872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dm5j9OwxqT |
|---|---|
| Name | 2-(Butylthio)adamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.159871947 u |
| Formula | C14H24S |
| InChI | InChI=1S/C14H24S/c1-2-3-4-15-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3/t10-,11+,12-,13+,14- |
| InChIKey | CKQGELKXIBYKRP-RVOPOGNISA-N |
| Molecular Weight | 224.406 g/mol |
| SMILES | C1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3SCCCC)[H])[H])[H])[H] |