| SpectraBase Compound ID | I4JAXYP7dAi |
|---|---|
| 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/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | LWQNAPNKRSBNIH-QNEBEIHSSA-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 | 8SqeD6FUIDf |
|---|---|
| Name | (6Z,9Z,12Z)-1-Nitrooctadeca-6,9,12-triene |
| 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/h6-7,9-10,12-13H,2-5,8,11,14-18H2,1H3/b7-6-,10-9-,13-12- |
| InChIKey | LWQNAPNKRSBNIH-QNEBEIHSSA-N |
| SMILES | C(N(=O)=O)CCCC\C=C/C\C=C/C\C=C/CCCCC |