| SpectraBase Compound ID | KVNFi6sWcPL |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-5-7-8-9-10-11-12-16-22(19(4)6-2)21(23)20-15-13-14-18(3)17-20/h13-15,17,19H,5-12,16H2,1-4H3 |
| InChIKey | DCLRALBNBHWJPR-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 | 5vZOkU6edsJ |
|---|---|
| Name | Benzamide, 3-methyl-N-(2-butyl)-N-nonyl- |
| 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/c1-5-7-8-9-10-11-12-16-22(19(4)6-2)21(23)20-15-13-14-18(3)17-20/h13-15,17,19H,5-12,16H2,1-4H3 |
| InChIKey | DCLRALBNBHWJPR-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCCCCCCCC)C(CC)C)(=O)C=1C=C(C=CC1)C |