| SpectraBase Compound ID | 318H6qENF0X |
|---|---|
| InChI | InChI=1S/C23H39NO/c1-4-5-6-7-8-9-10-11-15-18-24(23(25)19-21(2)3)20-22-16-13-12-14-17-22/h12-14,16-17,21H,4-11,15,18-20H2,1-3H3 |
| InChIKey | VVLPDVWRRUUFHK-UHFFFAOYSA-N |
| Mol Weight | 345.6 g/mol |
| Molecular Formula | C23H39NO |
| Exact Mass | 345.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FOV3i7T4Sr9 |
|---|---|
| Name | Isovaleramide, N-benzyl-N-undecyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.303164879 u |
| Formula | C23H39NO |
| InChI | InChI=1S/C23H39NO/c1-4-5-6-7-8-9-10-11-15-18-24(23(25)19-21(2)3)20-22-16-13-12-14-17-22/h12-14,16-17,21H,4-11,15,18-20H2,1-3H3 |
| InChIKey | VVLPDVWRRUUFHK-UHFFFAOYSA-N |
| Molecular Weight | 345.571 g/mol |
| SMILES | C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)CC(C)C |