| SpectraBase Spectrum ID |
BeKaCccZfdo |
| Name |
2-(4-(Diethylamino)but-2-yn-1-yl)isoindoline-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.136827826 u |
| Formula |
C16H18N2O2 |
| InChI |
InChI=1S/C16H18N2O2/c1-3-17(4-2)11-7-8-12-18-15(19)13-9-5-6-10-14(13)16(18)20/h5-6,9-10H,3-4,11-12H2,1-2H3 |
| InChIKey |
DEWGBLHKQDVWLX-UHFFFAOYSA-N |
| SMILES |
C1(N(C(C2=C1C=CC=C2)=O)CC#CCN(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939296 |
