SpectraBase Spectrum ID |
LHU5RRdg4Qr |
Name |
1',2,3',4-Tetraoxo-3-azaspiro[bicyclo[3.1.0]hexane-6,2'-indene]-1,5-dicarbonitrile |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.028005649 u |
Formula |
C15H5N3O4 |
InChI |
InChI=1S/C15H5N3O4/c16-5-13-11(21)18-12(22)14(13,6-17)15(13)9(19)7-3-1-2-4-8(7)10(15)20/h1-4H,(H,18,21,22) |
InChIKey |
ZUYKIKGOVMFVAY-UHFFFAOYSA-N |
Molecular Weight |
291.222 g/mol |
SMILES |
C1=CC2=C(C=C1)C(=O)C1(C2=O)C2(C(NC(C12C#N)=O)=O)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972115 |