| SpectraBase Compound ID | CaLI9AyhyPa |
|---|---|
| InChI | InChI=1S/C18H24S/c1-2-19-17-5-3-16(4-6-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,18- |
| InChIKey | MHUDORTVLVQDOJ-OVMOHIIOSA-N |
| Mol Weight | 272.45 g/mol |
| Molecular Formula | C18H24S |
| Exact Mass | 272.159872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bhSbEmyMi |
|---|---|
| Name | p-(Adamantyl-1)-ethylthiobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.159871947 u |
| Formula | C18H24S |
| InChI | InChI=1S/C18H24S/c1-2-19-17-5-3-16(4-6-17)18-10-13-7-14(11-18)9-15(8-13)12-18/h3-6,13-15H,2,7-12H2,1H3/t13-,14+,15-,18- |
| InChIKey | MHUDORTVLVQDOJ-OVMOHIIOSA-N |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])C=1C=CC(=CC1)SCC)[H] |