| SpectraBase Compound ID | 1nqDcOL51YW |
|---|---|
| InChI | InChI=1S/C20H31NO/c1-3-5-7-8-12-16-20(22)21(17-13-6-4-2)18-19-14-10-9-11-15-19/h8-12,14-15H,3-7,13,16-18H2,1-2H3/b12-8+ |
| InChIKey | MVAWACIZBCMYSQ-XYOKQWHBSA-N |
| Mol Weight | 301.47 g/mol |
| Molecular Formula | C20H31NO |
| Exact Mass | 301.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VqH4oPIi5R |
|---|---|
| Name | oct-3-Enoylamide, N-benzyl-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.240564621 u |
| Formula | C20H31NO |
| InChI | InChI=1S/C20H31NO/c1-3-5-7-8-12-16-20(22)21(17-13-6-4-2)18-19-14-10-9-11-15-19/h8-12,14-15H,3-7,13,16-18H2,1-2H3/b12-8+ |
| InChIKey | MVAWACIZBCMYSQ-XYOKQWHBSA-N |
| SMILES | C(N(CCCCC)CC1=CC=CC=C1)(=O)C\C=C\CCCC |