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(rs)-2-(2-Ethylbutyl)-1-azabicyclo[2.2.2]octane-3-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(rs)-2-(2-Ethylbutyl)-1-azabicyclo[2.2.2]octane-3-one
SpectraBase Compound ID CwishNDClpq
InChI InChI=1S/C13H23NO/c1-3-10(4-2)9-12-13(15)11-5-7-14(12)8-6-11/h10-12H,3-9H2,1-2H3
InChIKey MGHHBWXDGKRTHE-UHFFFAOYSA-N
Mol Weight 209.33 g/mol
Molecular Formula C13H23NO
Exact Mass 209.177964 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWv9ZPn5cOh
Name (rs)-2-(2-Ethylbutyl)-1-azabicyclo[2.2.2]octane-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.177964364 u
Formula C13H23NO
InChI InChI=1S/C13H23NO/c1-3-10(4-2)9-12-13(15)11-5-7-14(12)8-6-11/h10-12H,3-9H2,1-2H3
InChIKey MGHHBWXDGKRTHE-UHFFFAOYSA-N
Molecular Weight 209.333 g/mol
SMILES C1(C(C2CCN1CC2)=O)CC(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986901