| SpectraBase Spectrum ID |
A7dQcldgJep |
| Name |
9,10-Anthracenedione, 1-hydroxy-2-[(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)carbonyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.137221747 u |
| Formula |
C26H20N2O5 |
| InChI |
InChI=1S/C26H20N2O5/c29-21-7-3-6-20-15-10-14(12-28(20)21)11-27(13-15)26(33)19-9-8-18-22(25(19)32)24(31)17-5-2-1-4-16(17)23(18)30/h1-9,14-15,32H,10-13H2 |
| InChIKey |
IGCFVSFELMHODH-UHFFFAOYSA-N |
| Molecular Weight |
440.455 g/mol |
| SMILES |
C1=2C(C=3C=CC=CC3C(C2C=CC(=C1O)C(N1CC2C3=CC=CC(N3CC(C1)C2)=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867715 |
![9,10-Anthracenedione, 1-hydroxy-2-[(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)carbonyl]-](/api/spectrum/A7dQcldgJep/structure.png?h=300&w=458 "9,10-Anthracenedione, 1-hydroxy-2-[(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)carbonyl]-")
