| SpectraBase Spectrum ID |
IeKmnaJ67g2 |
| Name |
Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[.alpha.-oxo-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.121965604 u |
| Formula |
C22H20N2O8 |
| InChI |
InChI=1S/C22H20N2O8/c1-3-31-21(29)17(25)13-9-5-7-11-15(13)23-19(27)20(28)24-16-12-8-6-10-14(16)18(26)22(30)32-4-2/h5-12H,3-4H2,1-2H3,(H,23,27)(H,24,28) |
| InChIKey |
KWIQKQDHKRJRRL-UHFFFAOYSA-N |
| Molecular Weight |
440.408 g/mol |
| SMILES |
C(C(NC=1C(C(C(=O)OCC)=O)=CC=CC1)=O)(NC=1C(C(C(=O)OCC)=O)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966275 |
![Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[.alpha.-oxo-, diethyl ester](/api/spectrum/IeKmnaJ67g2/structure.png?h=300&w=458 "Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[.alpha.-oxo-, diethyl ester")
