| SpectraBase Compound ID | 71grjVxqkOP |
|---|---|
| InChI | InChI=1S/C22H37NOS/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)22(24)20-25-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3 |
| InChIKey | VNSBBALSCQZYEL-UHFFFAOYSA-N |
| Mol Weight | 363.6 g/mol |
| Molecular Formula | C22H37NOS |
| Exact Mass | 363.259586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FIun6ReU6k6 |
|---|---|
| Name | Phenylthioacetamide, N,N-diheptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.259585988 u |
| Formula | C22H37NOS |
| InChI | InChI=1S/C22H37NOS/c1-3-5-7-9-14-18-23(19-15-10-8-6-4-2)22(24)20-25-21-16-12-11-13-17-21/h11-13,16-17H,3-10,14-15,18-20H2,1-2H3 |
| InChIKey | VNSBBALSCQZYEL-UHFFFAOYSA-N |
| Molecular Weight | 363.604 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(N(CCCCCCC)CCCCCCC)=O |