| SpectraBase Compound ID | Aj2rm3pk1WT |
|---|---|
| InChI | InChI=1S/C16H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17-18-16/h7-8,14-15H,2-6,9-13H2,1H3,(H,17,18)/b8-7- |
| InChIKey | JXJAUMGSUBIYHE-FPLPWBNLSA-N |
| Mol Weight | 248.41 g/mol |
| Molecular Formula | C16H28N2 |
| Exact Mass | 248.225249 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 | H2abFoIWcK7 |
|---|---|
| Name | (Z)-3-(6-Tridecenyl)pyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.225248910 u |
| Formula | C16H28N2 |
| InChI | InChI=1S/C16H28N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-17-18-16/h7-8,14-15H,2-6,9-13H2,1H3,(H,17,18)/b8-7- |
| InChIKey | JXJAUMGSUBIYHE-FPLPWBNLSA-N |
| Molecular Weight | 248.414 g/mol |
| SMILES | C=1NN=C(C1)CCCCC\C=C/CCCCCC |