| SpectraBase Compound ID | CLQ8zhSWh1M |
|---|---|
| InChI | InChI=1S/C19H31NO/c1-4-7-14-18(6-3)19(21)20(15-8-5-2)16-17-12-10-9-11-13-17/h9-13,18H,4-8,14-16H2,1-3H3 |
| InChIKey | LTUMPWLNXVWUBQ-UHFFFAOYSA-N |
| Mol Weight | 289.46 g/mol |
| Molecular Formula | C19H31NO |
| Exact Mass | 289.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGo4l4N8vwk |
|---|---|
| Name | Hexanoylamide, 2-ethyl-N-benzyl-N-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.240564621 u |
| Formula | C19H31NO |
| InChI | InChI=1S/C19H31NO/c1-4-7-14-18(6-3)19(21)20(15-8-5-2)16-17-12-10-9-11-13-17/h9-13,18H,4-8,14-16H2,1-3H3 |
| InChIKey | LTUMPWLNXVWUBQ-UHFFFAOYSA-N |
| Molecular Weight | 289.463 g/mol |
| SMILES | C(N(CCCC)CC1=CC=CC=C1)(=O)C(CC)CCCC |