| SpectraBase Spectrum ID |
4CmYBEnZgU8 |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,5-dimethoxy-3,6-bis(4-nitrophenoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.064844649 u |
| Formula |
C20H14N2O10 |
| InChI |
InChI=1S/C20H14N2O10/c1-29-17-15(23)20(32-14-9-5-12(6-10-14)22(27)28)18(30-2)16(24)19(17)31-13-7-3-11(4-8-13)21(25)26/h3-10H,1-2H3 |
| InChIKey |
GJJWIHOEBZGMKG-UHFFFAOYSA-N |
| Molecular Weight |
442.336 g/mol |
| SMILES |
COC1=C(OC2=CC=C(C=C2)[N+]([O-])=O)C(=O)C(=C(OC2=CC=C(C=C2)[N+]([O-])=O)C1=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839197 |
