| SpectraBase Spectrum ID |
DyuSGSryRnQ |
| Name |
1,4-di(2,4-Dinitrophenyl)-3,6-di(4-chlorophenyl)-1,4-dihydro-1,2,4,5-tetrazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
636.031164835 u |
| Formula |
C26H14Cl2N8O8 |
| InChI |
InChI=1S/C26H14Cl2N8O8/c27-17-5-1-15(2-6-17)25-29-32(22-12-10-20(34(39)40)14-24(22)36(43)44)26(16-3-7-18(28)8-4-16)30-31(25)21-11-9-19(33(37)38)13-23(21)35(41)42/h1-14H |
| InChIKey |
KEYQRFOOIGZLLX-UHFFFAOYSA-N |
| SMILES |
C1(=NN(C(=NN1C1=CC=C(C=C1N(=O)=O)N(=O)=O)C1=CC=C(C=C1)Cl)C1=CC=C(C=C1N(=O)=O)N(=O)=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960135 |
