| SpectraBase Spectrum ID |
1LW8vfZBNf6 |
| Name |
3-Phenyl-2,4-diazabicyclo-[4.2.0]-octa-1-(6),2-dien-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.079312949 u |
| Formula |
C12H10N2O |
| InChI |
InChI=1S/C12H10N2O/c15-12-9-6-7-10(9)13-11(14-12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14,15) |
| InChIKey |
XTXJCKCQNXNDAX-UHFFFAOYSA-N |
| Molecular Weight |
198.225 g/mol |
| SMILES |
C1(=O)C2=C(CC2)N=C(N1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923338 |
![3-Phenyl-2,4-diazabicyclo-[4.2.0]-octa-1-(6),2-dien-5-one](/api/spectrum/1LW8vfZBNf6/structure.png?h=300&w=458 "3-Phenyl-2,4-diazabicyclo-[4.2.0]-octa-1-(6),2-dien-5-one")
