| SpectraBase Compound ID | LIpAuVZIZvY |
|---|---|
| InChI | InChI=1S/C21H27NOS/c1-2-3-4-11-16-22(17-19-12-7-5-8-13-19)21(23)18-24-20-14-9-6-10-15-20/h5-10,12-15H,2-4,11,16-18H2,1H3 |
| InChIKey | YTMKQDYEQZATER-UHFFFAOYSA-N |
| Mol Weight | 341.51 g/mol |
| Molecular Formula | C21H27NOS |
| Exact Mass | 341.181336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EYhGQ65E3Oc |
|---|---|
| Name | Acetamide, 2-phenylthio-N-benzyl-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.181335666 u |
| Formula | C21H27NOS |
| InChI | InChI=1S/C21H27NOS/c1-2-3-4-11-16-22(17-19-12-7-5-8-13-19)21(23)18-24-20-14-9-6-10-15-20/h5-10,12-15H,2-4,11,16-18H2,1H3 |
| InChIKey | YTMKQDYEQZATER-UHFFFAOYSA-N |
| Molecular Weight | 341.513 g/mol |
| SMILES | C(N(CCCCCC)CC1=CC=CC=C1)(=O)CSC1=CC=CC=C1 |