| SpectraBase Spectrum ID |
3DvpvPxrHYP |
| Name |
Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-bromo-.alpha.-oxo-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
567.911691411 u |
| Formula |
C20H14Br2N2O8 |
| InChI |
InChI=1S/C20H14Br2N2O8/c1-31-19(29)15(25)11-7-9(21)3-5-13(11)23-17(27)18(28)24-14-6-4-10(22)8-12(14)16(26)20(30)32-2/h3-8H,1-2H3,(H,23,27)(H,24,28) |
| InChIKey |
HYZFCMVOHNTCTO-UHFFFAOYSA-N |
| Molecular Weight |
570.146 g/mol |
| SMILES |
C=1(C(C(=O)OC)=O)C(NC(C(NC=2C(C(C(=O)OC)=O)=CC(=CC2)Br)=O)=O)=CC=C(C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804499 |
![Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-bromo-.alpha.-oxo-, dimethyl ester](/api/spectrum/3DvpvPxrHYP/structure.png?h=300&w=458 "Benzeneacetic acid, 2,2'-[(1,2-dioxo-1,2-ethanediyl)diimino]bis[5-bromo-.alpha.-oxo-, dimethyl ester")
