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3'-Methoxybenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene

View entire compound with spectra: 1 FTIR

3'-Methoxybenzo[1',2'-B]-1,4-diazabicyclo[2.2.2]octene
SpectraBase Compound ID 2xjEnDlGI1J
InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)13-7-5-12(9)6-8-13/h2-4H,5-8H2,1H3
InChIKey INUPTVBTTOJVPL-UHFFFAOYSA-N
Mol Weight 190.25 g/mol
Molecular Formula C11H14N2O
Exact Mass 190.110613 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IHIjqzsWHWl
Name 3'-Methoxybenzo[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 190.110613078 u
Formula C11H14N2O
InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9-11(10)13-7-5-12(9)6-8-13/h2-4H,5-8H2,1H3
InChIKey INUPTVBTTOJVPL-UHFFFAOYSA-N
Molecular Weight 190.246 g/mol
SMILES C1=CC(=C2C(=C1)N1CCN2CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913485