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4-Amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide

View entire compound with spectra: 1 FTIR

4-Amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide
SpectraBase Compound ID 6f9f7axnoe3
InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
InChIKey FEROPKNOYKURCJ-UHFFFAOYSA-N
Mol Weight 309.8 g/mol
Molecular Formula C15H20ClN3O2
Exact Mass 309.124405 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IpS2ywFeE9O
Name 4-Amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-chloro-2-methoxybenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 309.124404594 u
Formula C15H20ClN3O2
InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
InChIKey FEROPKNOYKURCJ-UHFFFAOYSA-N
Molecular Weight 309.797 g/mol
SMILES COC1=C(C(NC2CN3CCC2CC3)=O)C=C(C(=C1)N)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9437