| SpectraBase Spectrum ID |
IqbPCFXTOS0 |
| Name |
1-Amino-8-anilino-4,5-dihydroxy-9,10-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.095356935 u |
| Formula |
C20H14N2O4 |
| InChI |
InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)16-12(22-10-4-2-1-3-5-10)7-9-14(24)18(16)20(17)26/h1-9,22-24H,21H2 |
| InChIKey |
PPGISMVFVBBTGY-UHFFFAOYSA-N |
| Molecular Weight |
346.342 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C(=CC=C3O)N)=C(O)C=CC1NC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901911 |
