| SpectraBase Spectrum ID |
CDm1B4hymLl |
| Name |
1,2-bis{3-Nitrophenyl}-1,2-ethanedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.038235980 u |
| Formula |
C14H8N2O6 |
| InChI |
InChI=1S/C14H8N2O6/c17-13(9-3-1-5-11(7-9)15(19)20)14(18)10-4-2-6-12(8-10)16(21)22/h1-8H |
| InChIKey |
SGKVXDKTNJHBCA-UHFFFAOYSA-N |
| Molecular Weight |
300.226 g/mol |
| SMILES |
C(C(=O)C1=CC(=CC=C1)N(=O)=O)(=O)C1=CC(=CC=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965662 |
