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4',5'-Diiodobenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene

View entire compound with spectra: 1 FTIR

4',5'-Diiodobenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene
SpectraBase Compound ID 63vKOQulqZj
InChI InChI=1S/C10H10I2N2/c11-7-5-9-10(6-8(7)12)14-2-1-13(9)3-4-14/h5-6H,1-4H2
InChIKey LZZFDYOKQNTINW-UHFFFAOYSA-N
Mol Weight 412.01 g/mol
Molecular Formula C10H10I2N2
Exact Mass 411.893338 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4XI7NNmRk76
Name 4',5'-Diiodobenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.893338330 u
Formula C10H10I2N2
InChI InChI=1S/C10H10I2N2/c11-7-5-9-10(6-8(7)12)14-2-1-13(9)3-4-14/h5-6H,1-4H2
InChIKey LZZFDYOKQNTINW-UHFFFAOYSA-N
Molecular Weight 412.013 g/mol
SMILES C12=C(C=C(C(=C2)I)I)N2CCN1CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.822093