| SpectraBase Compound ID | IV56OONA2Dj |
|---|---|
| InChI | InChI=1S/C18H21NOS/c1-2-13-19(14-16-9-5-3-6-10-16)18(20)15-21-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3 |
| InChIKey | FVPDPPZRMYFSPO-UHFFFAOYSA-N |
| Mol Weight | 299.43 g/mol |
| Molecular Formula | C18H21NOS |
| Exact Mass | 299.134385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DgcWCP05TdE |
|---|---|
| Name | Acetamide, 2-phenylthio-N-benzyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.134385473 u |
| Formula | C18H21NOS |
| InChI | InChI=1S/C18H21NOS/c1-2-13-19(14-16-9-5-3-6-10-16)18(20)15-21-17-11-7-4-8-12-17/h3-12H,2,13-15H2,1H3 |
| InChIKey | FVPDPPZRMYFSPO-UHFFFAOYSA-N |
| SMILES | C(N(CCC)CC1=CC=CC=C1)(=O)CSC1=CC=CC=C1 |