| SpectraBase Spectrum ID |
7TQweKX6Yh4 |
| Name |
6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid cyanomethyl-amide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.126991416 u |
| Formula |
C16H17N3O3 |
| InChI |
InChI=1S/C16H17N3O3/c17-9-10-18-14(20)8-2-1-5-11-19-15(21)12-6-3-4-7-13(12)16(19)22/h3-4,6-7H,1-2,5,8,10-11H2,(H,18,20) |
| InChIKey |
AEJHCCWAXVOWDJ-UHFFFAOYSA-N |
| Molecular Weight |
299.330 g/mol |
| SMILES |
C1=CC2=C(C(N(C2=O)CCCCCC(=O)NCC#N)=O)C=C1 |
