| SpectraBase Compound ID | 6WQn0m7VLfp |
|---|---|
| InChI | InChI=1S/C28H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-29(28(30)24-6-4-2)26-27-22-19-18-20-23-27/h18-20,22-23H,3-17,21,24-26H2,1-2H3 |
| InChIKey | LAJXIXOLQKMWCV-UHFFFAOYSA-N |
| Mol Weight | 415.7 g/mol |
| Molecular Formula | C28H49NO |
| Exact Mass | 415.381415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52uXvMHijg9 |
|---|---|
| Name | Valeramide, N-benzyl-N-hexadecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 415.381415201 u |
| Formula | C28H49NO |
| InChI | InChI=1S/C28H49NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-21-25-29(28(30)24-6-4-2)26-27-22-19-18-20-23-27/h18-20,22-23H,3-17,21,24-26H2,1-2H3 |
| InChIKey | LAJXIXOLQKMWCV-UHFFFAOYSA-N |
| Molecular Weight | 415.706 g/mol |
| SMILES | C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CCCC |