| SpectraBase Compound ID | CkWVAAKAvJG |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-7-9-10-11-18-22(17-6-3)21(23)20-15-13-19(14-16-20)12-8-5-2/h13-16H,4-12,17-18H2,1-3H3 |
| InChIKey | OUBKIEFZMAERGD-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1T7dHSiC4Al |
|---|---|
| Name | Benzamide, 4-butyl-N-propyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-4-7-9-10-11-18-22(17-6-3)21(23)20-15-13-19(14-16-20)12-8-5-2/h13-16H,4-12,17-18H2,1-3H3 |
| InChIKey | OUBKIEFZMAERGD-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(C1=CC=C(C=C1)CCCC)(N(CCCCCCC)CCC)=O |