| SpectraBase Spectrum ID |
RMLXXqCwi5 |
| Name |
3,6-Dinitro-4-cyclohexene-1,2-dicarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.028065218 u |
| Formula |
C8H8N2O8 |
| InChI |
InChI=1S/C8H8N2O8/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14/h1-6H,(H,11,12)(H,13,14) |
| InChIKey |
RQXQNNSFGCIDRE-UHFFFAOYSA-N |
| Molecular Weight |
260.158 g/mol |
| SMILES |
C1=CC(C(C(C1N(=O)=O)C(O)=O)C(O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959749 |
