| SpectraBase Spectrum ID |
HEaGZWrkxfE |
| Name |
Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-methyl-.alpha.-oxo-, dimethyl 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/c1-11-5-7-15(13(9-11)17(25)21(29)31-3)23-19(27)20(28)24-16-8-6-12(2)10-14(16)18(26)22(30)32-4/h5-10H,1-4H3,(H,23,27)(H,24,28) |
| InChIKey |
QUSTXSCXQXABSQ-UHFFFAOYSA-N |
| Molecular Weight |
440.408 g/mol |
| SMILES |
C=1(C(C(=O)OC)=O)C(NC(C(NC=2C(C(C(=O)OC)=O)=CC(=CC2)C)=O)=O)=CC=C(C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878565 |
![Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-methyl-.alpha.-oxo-, dimethyl ester](/api/spectrum/HEaGZWrkxfE/structure.png?h=300&w=458 "Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-methyl-.alpha.-oxo-, dimethyl ester")
