| SpectraBase Spectrum ID |
2ovCndZPKQP |
| Name |
2-Isopropylamino-4-isopropylimino-9,10-dihydroxy-1,4-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.163042573 u |
| Formula |
C20H22N2O3 |
| InChI |
InChI=1S/C20H22N2O3/c1-10(2)21-14-9-15(22-11(3)4)20(25)17-16(14)18(23)12-7-5-6-8-13(12)19(17)24/h5-11,22-24H,1-4H3/b21-14+ |
| InChIKey |
PIEBDPPVLMMXEV-KGENOOAVSA-N |
| Molecular Weight |
338.407 g/mol |
| SMILES |
C1=2C(=C(O)C3=C(C2O)C=CC=C3)C(=O)C(=C\C1=N\C(C)C)NC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962135 |
