| SpectraBase Compound ID | CWlwyA7laqa |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-4-6-7-13-19-23(20(3)14-5-2)22(24)18-12-11-17-21-15-9-8-10-16-21/h8-10,15-16,20H,4-7,11-14,17-19H2,1-3H3 |
| InChIKey | ZUGXUJJMBMZUHH-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MjAMQMDDMV |
|---|---|
| Name | Valeramide, 5-phenyl-N-(2-pentyl)-N-hexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-4-6-7-13-19-23(20(3)14-5-2)22(24)18-12-11-17-21-15-9-8-10-16-21/h8-10,15-16,20H,4-7,11-14,17-19H2,1-3H3 |
| InChIKey | ZUGXUJJMBMZUHH-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(N(CCCCCC)C(CCC)C)(=O)CCCCC=1C=CC=CC1 |