| SpectraBase Spectrum ID |
6Odis1iDqW8 |
| Name |
2-(5-Keto-3-phenyl-1H-1,2,4-triazol-4-yl)isoindoline-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.075290195 u |
| Formula |
C16H10N4O3 |
| InChI |
InChI=1S/C16H10N4O3/c21-14-11-8-4-5-9-12(11)15(22)20(14)19-13(17-18-16(19)23)10-6-2-1-3-7-10/h1-9H,(H,18,23) |
| InChIKey |
BOJJLGMODXVYMJ-UHFFFAOYSA-N |
| Molecular Weight |
306.281 g/mol |
| SMILES |
C1(N(N2C(=NNC2=O)C2=CC=CC=C2)C(C=2C=CC=CC12)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96547 |
