| SpectraBase Compound ID | I2fH855ScZn |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-5-8-10-11-17-22(18(4)7-3)21(23)20-15-13-19(14-16-20)12-9-6-2/h13-16,18H,5-12,17H2,1-4H3 |
| InChIKey | HLCSGNTUKLVWAT-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 | FkXrcTrgYZN |
|---|---|
| Name | Benzamide, 4-butyl-N-(2-butyl)-N-hexyl- |
| 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/c1-5-8-10-11-17-22(18(4)7-3)21(23)20-15-13-19(14-16-20)12-9-6-2/h13-16,18H,5-12,17H2,1-4H3 |
| InChIKey | HLCSGNTUKLVWAT-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCCCCC)C(CC)C)(=O)C=1C=CC(=CC1)CCCC |