| SpectraBase Compound ID | 6gaOOY1U3cF |
|---|---|
| InChI | InChI=1S/C21H41NO/c1-6-10-12-13-14-17-21(23)22(19(5)15-8-3)18-20(9-4)16-11-7-2/h13-14,19-20H,6-12,15-18H2,1-5H3/b14-13+ |
| InChIKey | ZQYXTKCSTJHQRK-BUHFOSPRSA-N |
| Mol Weight | 323.6 g/mol |
| Molecular Formula | C21H41NO |
| Exact Mass | 323.318815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50Ackc7cpXG |
|---|---|
| Name | oct-3-Enoylamide, N-(2-pentyl)-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.318814943 u |
| Formula | C21H41NO |
| InChI | InChI=1S/C21H41NO/c1-6-10-12-13-14-17-21(23)22(19(5)15-8-3)18-20(9-4)16-11-7-2/h13-14,19-20H,6-12,15-18H2,1-5H3/b14-13+ |
| InChIKey | ZQYXTKCSTJHQRK-BUHFOSPRSA-N |
| Molecular Weight | 323.565 g/mol |
| SMILES | CCCC(N(C(=O)C\C=C\CCCC)CC(CCCC)CC)C |