| SpectraBase Spectrum ID |
7Dbyg3aVkXI |
| Name |
2-Pyrazoline, 3-(3-nitrophenyl)-5-(4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.085854878 u |
| Formula |
C15H12N4O4 |
| InChI |
InChI=1S/C15H12N4O4/c20-18(21)12-6-4-10(5-7-12)14-9-15(17-16-14)11-2-1-3-13(8-11)19(22)23/h1-8,14,16H,9H2 |
| InChIKey |
BXVPNPDHHLGLQY-UHFFFAOYSA-N |
| Molecular Weight |
312.285 g/mol |
| SMILES |
C1=CC(C2=NNC(C=3C=CC(N(=O)=O)=CC3)C2)=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888203 |
