| SpectraBase Spectrum ID |
AIXCXoizmjZ |
| Name |
2,5,8-Trihydroxy-6(7)-ethoxy-7(6)-methyl-3-nitronaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.048466310 u |
| Formula |
C13H11NO8 |
| InChI |
InChI=1S/C13H11NO8/c1-3-22-13-4(2)8(15)5-6(11(13)18)9(16)7(14(20)21)12(19)10(5)17/h15,18-19H,3H2,1-2H3 |
| InChIKey |
RMAVDUJVWFAPOC-UHFFFAOYSA-N |
| Molecular Weight |
309.230 g/mol |
| SMILES |
C1(=C(C(C=2C(=C(C)C(=C(C2C1=O)O)OCC)O)=O)O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956507 |
