| SpectraBase Spectrum ID |
I9IVvvP4LRm |
| Name |
2-(2-Methyl-1,3-dioxo-5-isoindolinyl)-1,3-dioxo-5-isoindolinecarboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.053886044 u |
| Formula |
C18H10N2O6 |
| InChI |
InChI=1S/C18H10N2O6/c1-19-14(21)10-5-3-9(7-13(10)15(19)22)20-16(23)11-4-2-8(18(25)26)6-12(11)17(20)24/h2-7H,1H3,(H,25,26) |
| InChIKey |
GRGBLFHEQSWQEG-UHFFFAOYSA-N |
| Molecular Weight |
350.286 g/mol |
| SMILES |
C1=C2C(=CC(=C1)C(O)=O)C(=O)N(C2=O)C1=CC=C2C(N(C)C(C2=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972657 |
