| SpectraBase Compound ID | ENcKGKsZSfM |
|---|---|
| InChI | InChI=1S/C23H39NO/c1-4-6-7-8-14-20-24(21(3)15-5-2)23(25)19-13-12-18-22-16-10-9-11-17-22/h9-11,16-17,21H,4-8,12-15,18-20H2,1-3H3 |
| InChIKey | WYSXCRJABGZVOO-UHFFFAOYSA-N |
| Mol Weight | 345.6 g/mol |
| Molecular Formula | C23H39NO |
| Exact Mass | 345.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cvtIYbDoQA |
|---|---|
| Name | Valeramide, 5-phenyl-N-(2-pentyl)-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.303164879 u |
| Formula | C23H39NO |
| InChI | InChI=1S/C23H39NO/c1-4-6-7-8-14-20-24(21(3)15-5-2)23(25)19-13-12-18-22-16-10-9-11-17-22/h9-11,16-17,21H,4-8,12-15,18-20H2,1-3H3 |
| InChIKey | WYSXCRJABGZVOO-UHFFFAOYSA-N |
| Molecular Weight | 345.571 g/mol |
| SMILES | C(N(CCCCCCC)C(CCC)C)(=O)CCCCC=1C=CC=CC1 |