| SpectraBase Spectrum ID |
1ezs2zFPYr3 |
| Name |
N-(2,3,3A,4,7,7A-Hexahydro-2-methyl-1,3-dioxo-1H-isoindol-4-yl)-N-methylbut-2-ynamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.116092380 u |
| Formula |
C14H16N2O3 |
| InChI |
InChI=1S/C14H16N2O3/c1-4-6-11(17)15(2)10-8-5-7-9-12(10)14(19)16(3)13(9)18/h5,8-10,12H,7H2,1-3H3 |
| InChIKey |
VDSKWZQYJYMCLL-UHFFFAOYSA-N |
| Molecular Weight |
260.293 g/mol |
| SMILES |
C(C#CC)(=O)N(C)C1C2C(N(C(C2CC=C1)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9776 |
