| SpectraBase Compound ID | g7i3S9fqGK |
|---|---|
| InChI | InChI=1S/C23H31NO/c1-2-3-4-5-12-19-24(20-22-15-10-7-11-16-22)23(25)18-17-21-13-8-6-9-14-21/h6-11,13-16H,2-5,12,17-20H2,1H3 |
| InChIKey | FQIHABAAVVPMEP-UHFFFAOYSA-N |
| Mol Weight | 337.51 g/mol |
| Molecular Formula | C23H31NO |
| Exact Mass | 337.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2O905bZ2Epq |
|---|---|
| Name | Propionamide, 3-phenyl-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.240564621 u |
| Formula | C23H31NO |
| InChI | InChI=1S/C23H31NO/c1-2-3-4-5-12-19-24(20-22-15-10-7-11-16-22)23(25)18-17-21-13-8-6-9-14-21/h6-11,13-16H,2-5,12,17-20H2,1H3 |
| InChIKey | FQIHABAAVVPMEP-UHFFFAOYSA-N |
| Molecular Weight | 337.507 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CCC1=CC=CC=C1 |