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3-(3-Azabicyclo[3.2.2]non-3-yl)-4'-propoxypropiophenone, hydrochloride

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

3-(3-Azabicyclo[3.2.2]non-3-yl)-4'-propoxypropiophenone, hydrochloride
SpectraBase Compound ID KPVeHbStCHe
InChI InChI=1S/C20H29NO2.ClH/c1-2-13-23-19-9-7-18(8-10-19)20(22)11-12-21-14-16-3-4-17(15-21)6-5-16;/h7-10,16-17H,2-6,11-15H2,1H3;1H
InChIKey MFGCJEXSRJYBBD-UHFFFAOYSA-N
Mol Weight 351.92 g/mol
Molecular Formula C20H30ClNO2
Exact Mass 351.196507 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KVpM550U41O
Name 3-(3-Azabicyclo[3.2.2]non-3-yl)-4'-propoxypropiophenone, hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.196506908 u
Formula C20H30ClNO2
InChI InChI=1S/C20H29NO2.ClH/c1-2-13-23-19-9-7-18(8-10-19)20(22)11-12-21-14-16-3-4-17(15-21)6-5-16;/h7-10,16-17H,2-6,11-15H2,1H3;1H
InChIKey MFGCJEXSRJYBBD-UHFFFAOYSA-N
Molecular Weight 351.918 g/mol
SMILES Cl.C=1C(=CC=C(C1)OCCC)C(CCN1CC2CCC(CC2)C1)=O
Spectrum/Structure Validation Score (Raman) 0.945164