| SpectraBase Compound ID | 1CX4WpiO91A |
|---|---|
| InChI | InChI=1S/C23H39NOS/c1-3-5-7-9-11-16-20-24(19-15-10-8-6-4-2)23(25)21-26-22-17-13-12-14-18-22/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3 |
| InChIKey | QADOPNLBBJZLFM-UHFFFAOYSA-N |
| Mol Weight | 377.6 g/mol |
| Molecular Formula | C23H39NOS |
| Exact Mass | 377.275236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZVsc6BIJ27 |
|---|---|
| Name | Phenylthioacetamide, N-heptyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.275236053 u |
| Formula | C23H39NOS |
| InChI | InChI=1S/C23H39NOS/c1-3-5-7-9-11-16-20-24(19-15-10-8-6-4-2)23(25)21-26-22-17-13-12-14-18-22/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3 |
| InChIKey | QADOPNLBBJZLFM-UHFFFAOYSA-N |
| Molecular Weight | 377.631 g/mol |
| SMILES | C1=CC=CC(=C1)SCC(N(CCCCCCC)CCCCCCCC)=O |