| SpectraBase Spectrum ID |
I6Md1tk5xQI |
| Name |
3-Amino-2,5,8-trihydroxy-6(7)-methyl-7(6)-ethoxynaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.074287137 u |
| Formula |
C13H13NO6 |
| InChI |
InChI=1S/C13H13NO6/c1-3-20-13-4(2)8(15)5-6(11(13)18)10(17)12(19)7(14)9(5)16/h15,18-19H,3,14H2,1-2H3 |
| InChIKey |
ABXUHRJGXBTKTI-UHFFFAOYSA-N |
| SMILES |
C=12C(C(=O)C(=C(C2=O)N)O)=C(C(OCC)=C(C1O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962806 |
