| SpectraBase Compound ID | 7wA5my7RMKL |
|---|---|
| InChI | InChI=1S/C19H25NOS/c21-18(6-7-22-17-4-2-1-3-5-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16H,6-13H2,(H,20,21) |
| InChIKey | XKAWPHXCMNMGCN-UHFFFAOYSA-N |
| Mol Weight | 315.48 g/mol |
| Molecular Formula | C19H25NOS |
| Exact Mass | 315.165686 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42nnTMAPshY |
|---|---|
| Name | Propanamide, N-(1-adamantyl)-3-phenylthio- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.165685602 u |
| Formula | C19H25NOS |
| InChI | InChI=1S/C19H25NOS/c21-18(6-7-22-17-4-2-1-3-5-17)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16H,6-13H2,(H,20,21) |
| InChIKey | XKAWPHXCMNMGCN-UHFFFAOYSA-N |
| SMILES | C12(NC(CCSC3=CC=CC=C3)=O)CC3CC(C1)CC(C2)C3 |