| SpectraBase Compound ID | A5igcvL6iwM |
|---|---|
| InChI | InChI=1S/C26H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-27(26(28)22-24(2)3)23-25-19-16-15-17-20-25/h15-17,19-20,24H,4-14,18,21-23H2,1-3H3 |
| InChIKey | KIMXSECJASHRFM-UHFFFAOYSA-N |
| Mol Weight | 387.7 g/mol |
| Molecular Formula | C26H45NO |
| Exact Mass | 387.350115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC0FJU0tL6F |
|---|---|
| Name | Isovaleramide, N-benzyl-N-tetradecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.350115072 u |
| Formula | C26H45NO |
| InChI | InChI=1S/C26H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-27(26(28)22-24(2)3)23-25-19-16-15-17-20-25/h15-17,19-20,24H,4-14,18,21-23H2,1-3H3 |
| InChIKey | KIMXSECJASHRFM-UHFFFAOYSA-N |
| Molecular Weight | 387.652 g/mol |
| SMILES | C(N(CCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CC(C)C |