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3-[2-(Methylsulfonyl)ethyl]-3-azabicyclo[3.3.1]nonane

View entire compound with spectra: 1 FTIR

3-[2-(Methylsulfonyl)ethyl]-3-azabicyclo[3.3.1]nonane
SpectraBase Compound ID 8vKi2APXoOT
InChI InChI=1S/C11H21NO2S/c1-15(13,14)6-5-12-8-10-3-2-4-11(7-10)9-12/h10-11H,2-9H2,1H3
InChIKey QDXYIESXVXMSDX-UHFFFAOYSA-N
Mol Weight 231.35 g/mol
Molecular Formula C11H21NO2S
Exact Mass 231.1293 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AA513ZKR0f7
Name 3-[2-(Methylsulfonyl)ethyl]-3-azabicyclo[3.3.1]nonane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.129300092 u
Formula C11H21NO2S
InChI InChI=1S/C11H21NO2S/c1-15(13,14)6-5-12-8-10-3-2-4-11(7-10)9-12/h10-11H,2-9H2,1H3
InChIKey QDXYIESXVXMSDX-UHFFFAOYSA-N
Molecular Weight 231.354 g/mol
SMILES C12CN(CC(C2)CCC1)CCS(=O)(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800476