| SpectraBase Spectrum ID |
IvO4Qp5v6vr |
| Name |
2-Phenyl-2-azatricyclo[5.2.2.0(1,5)]-undeca-4,8,10-trien-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.099714042 u |
| Formula |
C16H13NO |
| InChI |
InChI=1S/C16H13NO/c18-15-11-13-10-12-6-8-16(13,9-7-12)17(15)14-4-2-1-3-5-14/h1-9,11-12H,10H2 |
| InChIKey |
CTTFELYXIBCQMW-UHFFFAOYSA-N |
| Molecular Weight |
235.286 g/mol |
| SMILES |
C123C(CC(C=C3)C=C1)=CC(=O)N2C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843295 |
![2-Phenyl-2-azatricyclo[5.2.2.0(1,5)]-undeca-4,8,10-trien-3-one](/api/spectrum/IvO4Qp5v6vr/structure.png?h=300&w=458 "2-Phenyl-2-azatricyclo[5.2.2.0(1,5)]-undeca-4,8,10-trien-3-one")
