| SpectraBase Compound ID | AyZs0YZ1zt |
|---|---|
| InChI | InChI=1S/C20H28N4/c1-3-9-19(10-4-1)13-7-15-23-17-22-24(18-21-23)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2 |
| InChIKey | WIFPWJSEIXHUOA-UHFFFAOYSA-N |
| Mol Weight | 324.47 g/mol |
| Molecular Formula | C20H28N4 |
| Exact Mass | 324.231397 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 | 9WBXSLHOzbx |
|---|---|
| Name | 1,2,4,5-Tetrazine, hexahydro-1,4-bis(3-phenylpropyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.231396918 u |
| Formula | C20H28N4 |
| InChI | InChI=1S/C20H28N4/c1-3-9-19(10-4-1)13-7-15-23-17-22-24(18-21-23)16-8-14-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2 |
| InChIKey | WIFPWJSEIXHUOA-UHFFFAOYSA-N |
| Molecular Weight | 324.472 g/mol |
| SMILES | C1NN(CNN1CCCC1=CC=CC=C1)CCCC1=CC=CC=C1 |