| SpectraBase Compound ID | 3bj6tLrAD06 |
|---|---|
| InChI | InChI=1S/C20H33NO/c1-4-6-17-21(18(3)12-5-2)20(22)16-11-10-15-19-13-8-7-9-14-19/h7-9,13-14,18H,4-6,10-12,15-17H2,1-3H3 |
| InChIKey | FOZQBXOJHFZWEG-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C20H33NO |
| Exact Mass | 303.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96eiKU8N2L2 |
|---|---|
| Name | Valeramide, 5-phenyl-N-(2-pentyl)-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.256214686 u |
| Formula | C20H33NO |
| InChI | InChI=1S/C20H33NO/c1-4-6-17-21(18(3)12-5-2)20(22)16-11-10-15-19-13-8-7-9-14-19/h7-9,13-14,18H,4-6,10-12,15-17H2,1-3H3 |
| InChIKey | FOZQBXOJHFZWEG-UHFFFAOYSA-N |
| SMILES | C(N(CCCC)C(CCC)C)(=O)CCCCC=1C=CC=CC1 |