| SpectraBase Spectrum ID |
7MXH1G6Tk0P |
| Name |
1,3-Diazatricyclo[6.3.1.0(4,12)]dodeca-4,6,8(12),9-tetraen-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.063662885 u |
| Formula |
C10H8N2O |
| InChI |
InChI=1S/C10H8N2O/c13-10-11-8-5-1-3-7-4-2-6-12(10)9(7)8/h1-5H,6H2,(H,11,13) |
| InChIKey |
QBRFYQULBWCTPB-UHFFFAOYSA-N |
| Molecular Weight |
172.187 g/mol |
| SMILES |
C12=CC=CC3=C2N(CC=C3)C(N1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917536 |
![1,3-Diazatricyclo[6.3.1.0(4,12)]dodeca-4,6,8(12),9-tetraen-2-one](/api/spectrum/7MXH1G6Tk0P/structure.png?h=300&w=458 "1,3-Diazatricyclo[6.3.1.0(4,12)]dodeca-4,6,8(12),9-tetraen-2-one")
