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1',2,3',4-Tetraoxo-3-azaspiro[bicyclo[3.1.0]hexane-6,2'-indene]-1,5-dicarbonitrile
SpectraBase Compound ID JM9aZXTl2xo
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
Mol Weight 291.22 g/mol
Molecular Formula C15H5N3O4
Exact Mass 291.028006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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