| SpectraBase Compound ID | 63rqCjTQ7eD |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-7-12-19(6-3)18-22(21(23)15-8-5-2)17-16-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3 |
| InChIKey | JYLODZLUFFCDKA-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 | BbUxvsCGWoh |
|---|---|
| Name | Valeramide, N-(2-phenylethyl)-N-(2-ethylhexyl)- |
| 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/c1-4-7-12-19(6-3)18-22(21(23)15-8-5-2)17-16-20-13-10-9-11-14-20/h9-11,13-14,19H,4-8,12,15-18H2,1-3H3 |
| InChIKey | JYLODZLUFFCDKA-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1=C(C=CC=C1)CCN(C(=O)CCCC)CC(CCCC)CC |