| SpectraBase Spectrum ID |
47joN6v2z8S |
| Name |
5,7-Dichloro-1,9-dioxo-2,4A,9,9A-tetrahydro-1H-10-oxa-2-azaanthracene-4-carboxylic acid, amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.986112142 u |
| Formula |
C13H8Cl2N2O4 |
| InChI |
InChI=1S/C13H8Cl2N2O4/c14-4-1-5-9(18)8-11(21-10(5)7(15)2-4)6(12(16)19)3-17-13(8)20/h1-3,8,11H,(H2,16,19)(H,17,20) |
| InChIKey |
CIQYJODKNJSCED-UHFFFAOYSA-N |
| Molecular Weight |
327.123 g/mol |
| SMILES |
C1(=CC(=C2C(=C1)C(C1C(O2)C(=CNC1=O)C(=O)N)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957476 |
