| SpectraBase Spectrum ID |
KL3jQctIesb |
| Name |
1,4-di(4-Nitrophenyl)-3,6-diphenyl-tetrazin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
478.138953080 u |
| Formula |
C26H18N6O4 |
| InChI |
InChI=1S/C26H18N6O4/c33-31(34)23-15-11-21(12-16-23)29-25(19-7-3-1-4-8-19)27-30(22-13-17-24(18-14-22)32(35)36)26(28-29)20-9-5-2-6-10-20/h1-18H |
| InChIKey |
JXHRNNWWSCSKSD-UHFFFAOYSA-N |
| Molecular Weight |
478.468 g/mol |
| SMILES |
C1(=NN(C(=NN1C1=CC=C(N(=O)=O)C=C1)C1=CC=CC=C1)C1=CC=C(N(=O)=O)C=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915951 |
