| SpectraBase Compound ID | 9vSqPhUzkGS |
|---|---|
| InChI | InChI=1S/C19H31NO3/c1-16(2)14-19(22)23-13-11-9-7-5-6-8-10-12-18(21)20-15-17(3)4/h5,7,9-12,16-17H,6,8,13-15H2,1-4H3,(H,20,21)/b7-5-,11-9+,12-10+ |
| InChIKey | KQNWUWPQQLFYFQ-CJKQPOKFSA-N |
| Mol Weight | 321.46 g/mol |
| Molecular Formula | C19H31NO3 |
| Exact Mass | 321.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LV47NINuVtw |
|---|---|
| Name | N-Isobutyl-10-(isobutylcarbonyloxy)(2E,6Z,8E)-decatrienamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.230393859 u |
| Formula | C19H31NO3 |
| InChI | InChI=1S/C19H31NO3/c1-16(2)14-19(22)23-13-11-9-7-5-6-8-10-12-18(21)20-15-17(3)4/h5,7,9-12,16-17H,6,8,13-15H2,1-4H3,(H,20,21)/b7-5-,11-9+,12-10+ |
| InChIKey | KQNWUWPQQLFYFQ-CJKQPOKFSA-N |
| Molecular Weight | 321.461 g/mol |
| SMILES | C(\C=C\C=C/CC\C=C\C(NCC(C)C)=O)OC(=O)CC(C)C |