| SpectraBase Spectrum ID |
KdnXZCK4dyq |
| Name |
3A-(2-Methyl-3-oxobutan-2-yl)-dihydro-2H-pyrrolo[3,4-C]pyrrole-1,3,4,6-tetrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.074621489 u |
| Formula |
C11H12N2O5 |
| InChI |
InChI=1S/C11H12N2O5/c1-4(14)10(2,3)11-5(6(15)12-8(11)17)7(16)13-9(11)18/h5H,1-3H3,(H,12,15,17)(H,13,16,18) |
| InChIKey |
QQRRCYHTTBSQKV-UHFFFAOYSA-N |
| Molecular Weight |
252.226 g/mol |
| SMILES |
C12C(NC(C2(C(=O)NC1=O)C(C(C)=O)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990232 |
![3A-(2-Methyl-3-oxobutan-2-yl)-dihydro-2H-pyrrolo[3,4-C]pyrrole-1,3,4,6-tetrone](/api/spectrum/KdnXZCK4dyq/structure.png?h=300&w=458 "3A-(2-Methyl-3-oxobutan-2-yl)-dihydro-2H-pyrrolo[3,4-C]pyrrole-1,3,4,6-tetrone")
