| SpectraBase Compound ID | 3rVdugEyaPq |
|---|---|
| InChI | InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | WTEODYNYUACWIM-PDBXOOCHSA-N |
| Mol Weight | 293.45 g/mol |
| Molecular Formula | C18H31NO2 |
| Exact Mass | 293.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 93b8sfjKdj2 |
|---|---|
| Name | (Z,Z,Z)-1-Nitro-9,12,15-octadecatriene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.235479240 u |
| Formula | C18H31NO2 |
| InChI | InChI=1S/C18H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9- |
| InChIKey | WTEODYNYUACWIM-PDBXOOCHSA-N |
| SMILES | C(N(=O)=O)CCCCCCC\C=C/C\C=C/C\C=C/CC |