| SpectraBase Compound ID | D5vLwnAA30e |
|---|---|
| InChI | InChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3 |
| InChIKey | BDMYCYCVJNLJRO-UHFFFAOYSA-N |
| Mol Weight | 391.7 g/mol |
| Molecular Formula | C24H41NOS |
| Exact Mass | 391.290886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I7mJCYsbfQg |
|---|---|
| Name | Phenylthioacetamide, N,N-dioctyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.290886117 u |
| Formula | C24H41NOS |
| InChI | InChI=1S/C24H41NOS/c1-3-5-7-9-11-16-20-25(21-17-12-10-8-6-4-2)24(26)22-27-23-18-14-13-15-19-23/h13-15,18-19H,3-12,16-17,20-22H2,1-2H3 |
| InChIKey | BDMYCYCVJNLJRO-UHFFFAOYSA-N |
| Molecular Weight | 391.658 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(N(CCCCCCCC)CCCCCCCC)=O |