| SpectraBase Compound ID | 721Iw5bhoEt |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-3-5-7-8-9-10-14-18-22(21(23)17-6-4-2)19-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3 |
| InChIKey | TVURQHVKNIYTTA-UHFFFAOYSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vGNTOAhOXp |
|---|---|
| Name | Valeramide, N-benzyl-N-nonyl- |
| 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/c1-3-5-7-8-9-10-14-18-22(21(23)17-6-4-2)19-20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3 |
| InChIKey | TVURQHVKNIYTTA-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(N(CCCCCCCCC)CC1=CC=CC=C1)(=O)CCCC |