| SpectraBase Spectrum ID |
XAiOOpKdSO |
| Name |
3-Amino-2,5,8-trihydroxy-6(7)-ethyl-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 |
293.089937201 u |
| Formula |
C14H15NO6 |
| InChI |
InChI=1S/C14H15NO6/c1-3-5-9(16)6-7(12(19)14(5)21-4-2)11(18)13(20)8(15)10(6)17/h16,19-20H,3-4,15H2,1-2H3 |
| InChIKey |
NCQZGLOGZBLNEA-UHFFFAOYSA-N |
| Molecular Weight |
293.275 g/mol |
| SMILES |
C=12C(C(C(O)=C(C2=O)N)=O)=C(C(OCC)=C(C1O)CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981386 |
