| SpectraBase Compound ID | 7qHZJYE0SWN |
|---|---|
| InChI | InChI=1S/C25H35NO/c1-3-5-7-8-12-20-26(21-23-14-10-9-11-15-23)25(27)24-18-16-22(17-19-24)13-6-4-2/h9-11,14-19H,3-8,12-13,20-21H2,1-2H3 |
| InChIKey | AJYKIGWMMWAWFT-UHFFFAOYSA-N |
| Mol Weight | 365.6 g/mol |
| Molecular Formula | C25H35NO |
| Exact Mass | 365.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4a8hzPS0XFr |
|---|---|
| Name | Benzamide, 4-butyl-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.271864750 u |
| Formula | C25H35NO |
| InChI | InChI=1S/C25H35NO/c1-3-5-7-8-12-20-26(21-23-14-10-9-11-15-23)25(27)24-18-16-22(17-19-24)13-6-4-2/h9-11,14-19H,3-8,12-13,20-21H2,1-2H3 |
| InChIKey | AJYKIGWMMWAWFT-UHFFFAOYSA-N |
| Molecular Weight | 365.561 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)CCCC |