| SpectraBase Spectrum ID |
Krr9gnIhlXz |
| Name |
1,2,4,5-Tetrazine, hexahydro-1,4-bis(3-phenylpropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864594 |
