| SpectraBase Compound ID | DuL25fpVyqa |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-5-11-19(4)22(17-16-18(2)3)21(23)15-10-9-14-20-12-7-6-8-13-20/h6-8,12-13,18-19H,5,9-11,14-17H2,1-4H3 |
| InChIKey | GWRNGUGIJODAGP-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BwWLliGNJSp |
|---|---|
| Name | Valeramide, 5-phenyl-N-(2-pentyl)-N-(3-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-5-11-19(4)22(17-16-18(2)3)21(23)15-10-9-14-20-12-7-6-8-13-20/h6-8,12-13,18-19H,5,9-11,14-17H2,1-4H3 |
| InChIKey | GWRNGUGIJODAGP-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCC(C)C)C(CCC)C)(=O)CCCCC=1C=CC=CC1 |