| SpectraBase Spectrum ID |
8uZysEd1A9L |
| Name |
1,3-Diketo-5-methyl-isoindoline-2-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
186.042927439 u |
| Formula |
C10H6N2O2 |
| InChI |
InChI=1S/C10H6N2O2/c1-6-2-3-7-8(4-6)10(14)12(5-11)9(7)13/h2-4H,1H3 |
| InChIKey |
GJWOQLNFARJHIC-UHFFFAOYSA-N |
| Molecular Weight |
186.170 g/mol |
| SMILES |
C1(N(C(C=2C=CC(=CC12)C)=O)C#N)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968293 |
