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2-azetidinemethanaminium, N-butyl-3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-oxo-, chloride

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2-azetidinemethanaminium, N-butyl-3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-oxo-, chloride
SpectraBase Compound ID JDwJOuYl27b
InChI InChI=1S/C21H25ClN2O2.ClH/c1-3-4-13-23-14-19-20(26-17-11-9-16(22)10-12-17)21(25)24(19)18-8-6-5-7-15(18)2;/h5-12,19-20,23H,3-4,13-14H2,1-2H3;1H
InChIKey OHCFIAZEXOKYDZ-UHFFFAOYSA-N
Mol Weight 409.36 g/mol
Molecular Formula C21H26Cl2N2O2
Exact Mass 408.137133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6qhAabNSSDm
Name 2-azetidinemethanaminium, N-butyl-3-(4-chlorophenoxy)-1-(2-methylphenyl)-4-oxo-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.137133483 u
Formula C21H26Cl2N2O2
InChI InChI=1S/C21H25ClN2O2.ClH/c1-3-4-13-23-14-19-20(26-17-11-9-16(22)10-12-17)21(25)24(19)18-8-6-5-7-15(18)2;/h5-12,19-20,23H,3-4,13-14H2,1-2H3;1H
InChIKey OHCFIAZEXOKYDZ-UHFFFAOYSA-N
Molecular Weight 409.357 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5388
Solvent DMSO-d6
Source Vendor ID: NMR/12708321