| SpectraBase Spectrum ID |
AFyvmGQuJhb |
| Name |
Ethyl 4-(3-nitrophenyl)-6,8-DIOXO7-phenyl-3,7-diazabicyclo[3.3.0]octan-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.127385338 u |
| Formula |
C21H19N3O6 |
| InChI |
InChI=1S/C21H19N3O6/c1-2-30-21(27)18-16-15(17(22-18)12-7-6-10-14(11-12)24(28)29)19(25)23(20(16)26)13-8-4-3-5-9-13/h3-11,15-18,22H,2H2,1H3 |
| InChIKey |
FHSMRUBKDMTPSD-UHFFFAOYSA-N |
| Molecular Weight |
409.398 g/mol |
| SMILES |
C12C(C(=O)N(C2=O)C2=CC=CC=C2)C(C=2C=C(N(=O)=O)C=CC2)NC1C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942575 |
![Ethyl 4-(3-nitrophenyl)-6,8-dioxo7-phenyl-3,7-diazabicyclo[3.3.0]octan-2-carboxylate](/api/spectrum/AFyvmGQuJhb/structure.png?h=300&w=458 "Ethyl 4-(3-nitrophenyl)-6,8-dioxo7-phenyl-3,7-diazabicyclo[3.3.0]octan-2-carboxylate")
