| SpectraBase Compound ID | 1lq8qcHU7uh |
|---|---|
| InChI | InChI=1S/C19H26N2S/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22)/t14-,15+,16-,17+,18? |
| InChIKey | YFJGVWIKVQDJTD-FVGDGBDSSA-N |
| Mol Weight | 314.49 g/mol |
| Molecular Formula | C19H26N2S |
| Exact Mass | 314.18167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 93Td3IqDycY |
|---|---|
| Name | N-2-Adamantyl-N'-(2-phenylethyl)thiourea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.181670019 u |
| Formula | C19H26N2S |
| InChI | InChI=1S/C19H26N2S/c22-19(20-7-6-13-4-2-1-3-5-13)21-18-16-9-14-8-15(11-16)12-17(18)10-14/h1-5,14-18H,6-12H2,(H2,20,21,22)/t14-,15+,16-,17+,18? |
| InChIKey | YFJGVWIKVQDJTD-FVGDGBDSSA-N |
| Molecular Weight | 314.491 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2)(C[C@](C1)(C3NC(=S)NCCC1=CC=CC=C1)[H])[H])[H])[H] |