| SpectraBase Compound ID | 57uIfpizleE |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-5-8-13-19(7-3)16-22(21(23)18(4)12-6-2)17-20-14-10-9-11-15-20/h9-11,14-15,18-19H,5-8,12-13,16-17H2,1-4H3 |
| InChIKey | JLLRDRYAAJVEHW-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 | CgZXHl5FqB0 |
|---|---|
| Name | Valeramide, 2-methyl-N-benzyl-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/c1-5-8-13-19(7-3)16-22(21(23)18(4)12-6-2)17-20-14-10-9-11-15-20/h9-11,14-15,18-19H,5-8,12-13,16-17H2,1-4H3 |
| InChIKey | JLLRDRYAAJVEHW-UHFFFAOYSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C(=O)(N(CC(CCCC)CC)CC1=CC=CC=C1)C(C)CCC |