| SpectraBase Compound ID | JpS1ACwrW0 |
|---|---|
| InChI | InChI=1S/C19H31NOS/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3 |
| InChIKey | QHPYJVVRVIUJPU-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 | Emy9YadUqFc |
|---|---|
| Name | Phenylthioacetamide, N-decyl-N-methyl- |
| 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/c1-3-4-5-6-7-8-9-13-16-20(2)19(21)17-22-18-14-11-10-12-15-18/h10-12,14-15H,3-9,13,16-17H2,1-2H3 |
| InChIKey | QHPYJVVRVIUJPU-UHFFFAOYSA-N |
| Molecular Weight | 321.523 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(N(C)CCCCCCCCCC)=O |