| SpectraBase Compound ID | Cr8zJVhYpRS |
|---|---|
| InChI | InChI=1S/C21H33NO/c1-3-5-7-9-14-18-22(19-20-15-11-10-12-16-20)21(23)17-13-8-6-4-2/h10-13,15-17H,3-9,14,18-19H2,1-2H3/b17-13+ |
| InChIKey | XALDNKKYTWPJMY-GHRIWEEISA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C21H33NO |
| Exact Mass | 315.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9LAns4JJcKN |
|---|---|
| Name | Hept-2-enoylamide, N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.256214686 u |
| Formula | C21H33NO |
| InChI | InChI=1S/C21H33NO/c1-3-5-7-9-14-18-22(19-20-15-11-10-12-16-20)21(23)17-13-8-6-4-2/h10-13,15-17H,3-9,14,18-19H2,1-2H3/b17-13+ |
| InChIKey | XALDNKKYTWPJMY-GHRIWEEISA-N |
| Molecular Weight | 315.501 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)\C=C\CCCC |