| SpectraBase Compound ID | BtsZ3SuA5Kl |
|---|---|
| InChI | InChI=1S/C21H35NOS/c1-4-6-7-8-9-13-17-22(19(3)14-5-2)21(23)18-24-20-15-11-10-12-16-20/h10-12,15-16,19H,4-9,13-14,17-18H2,1-3H3 |
| InChIKey | NCGZZMLWUORFJA-UHFFFAOYSA-N |
| Mol Weight | 349.6 g/mol |
| Molecular Formula | C21H35NOS |
| Exact Mass | 349.243936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GvmX8qDR6ZW |
|---|---|
| Name | Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.243935924 u |
| Formula | C21H35NOS |
| InChI | InChI=1S/C21H35NOS/c1-4-6-7-8-9-13-17-22(19(3)14-5-2)21(23)18-24-20-15-11-10-12-16-20/h10-12,15-16,19H,4-9,13-14,17-18H2,1-3H3 |
| InChIKey | NCGZZMLWUORFJA-UHFFFAOYSA-N |
| Molecular Weight | 349.577 g/mol |
| SMILES | C(C(=O)N(CCCCCCCC)C(CCC)C)SC1=CC=CC=C1 |