| SpectraBase Compound ID | Jt3JvrlC624 |
|---|---|
| InChI | InChI=1S/C19H31NOS/c1-4-6-7-11-15-20(17(3)12-5-2)19(21)16-22-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3 |
| InChIKey | LXJZHVQCTGMNIO-UHFFFAOYSA-N |
| Mol Weight | 321.52 g/mol |
| Molecular Formula | C19H31NOS |
| Exact Mass | 321.212636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9okCA2HKLYJ |
|---|---|
| Name | Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.212635795 u |
| Formula | C19H31NOS |
| InChI | InChI=1S/C19H31NOS/c1-4-6-7-11-15-20(17(3)12-5-2)19(21)16-22-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3 |
| InChIKey | LXJZHVQCTGMNIO-UHFFFAOYSA-N |
| Molecular Weight | 321.523 g/mol |
| SMILES | C(C(=O)N(CCCCCC)C(CCC)C)SC1=CC=CC=C1 |