| SpectraBase Spectrum ID |
2gkjVHqq3j1 |
| Name |
N-(2,3,3A,4,7,7A-Hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)but-2-ynamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.100442316 u |
| Formula |
C13H14N2O3 |
| InChI |
InChI=1S/C13H14N2O3/c1-3-5-10(16)14-9-7-4-6-8-11(9)13(18)15(2)12(8)17/h4,7-9,11H,6H2,1-2H3,(H,14,16) |
| InChIKey |
FMETXUUQXNYJBW-UHFFFAOYSA-N |
| Molecular Weight |
246.266 g/mol |
| SMILES |
C(C#CC)(=O)NC1C2C(N(C(C2CC=C1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963878 |
