| SpectraBase Spectrum ID |
GZKCkgm5tkH |
| Name |
5-oxo-3-(2'-Methoxyphenyl)-2-benzoyl-6,9-diazabicyclo[4.3.0]non-1-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.147392509 u |
| Formula |
C21H20N2O3 |
| InChI |
InChI=1S/C21H20N2O3/c1-26-17-10-6-5-9-15(17)16-13-18(24)23-12-11-22-21(23)19(16)20(25)14-7-3-2-4-8-14/h2-10,16,22H,11-13H2,1H3 |
| InChIKey |
UIEMMVAGWHGOCW-UHFFFAOYSA-N |
| Molecular Weight |
348.402 g/mol |
| SMILES |
C1(=C2N(C(=O)CC1C1=C(OC)C=CC=C1)CCN2)C(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822032 |
![5-Oxo-3-(2'-methoxyphenyl)-2-benzoyl-6,9-diazabicyclo[4.3.0]non-1-ene](/api/spectrum/GZKCkgm5tkH/structure.png?h=300&w=458 "5-Oxo-3-(2'-methoxyphenyl)-2-benzoyl-6,9-diazabicyclo[4.3.0]non-1-ene")
