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2-azetidinemethanaminium, 3-(2,4-dichlorophenoxy)-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-4-oxo-, chloride
SpectraBase Compound ID E4YGfYYUgwX
InChI InChI=1S/C22H26Cl2N2O3.ClH/c1-14-6-4-7-18(15(14)2)26-19(13-25-10-5-11-28-3)21(22(26)27)29-20-9-8-16(23)12-17(20)24;/h4,6-9,12,19,21,25H,5,10-11,13H2,1-3H3;1H
InChIKey NPQWULKRLRGPAO-UHFFFAOYSA-N
Mol Weight 473.83 g/mol
Molecular Formula C22H27Cl3N2O3
Exact Mass 472.108726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FnfHhOLf0Dh
Name 2-azetidinemethanaminium, 3-(2,4-dichlorophenoxy)-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-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 472.108725834 u
Formula C22H27Cl3N2O3
InChI InChI=1S/C22H26Cl2N2O3.ClH/c1-14-6-4-7-18(15(14)2)26-19(13-25-10-5-11-28-3)21(22(26)27)29-20-9-8-16(23)12-17(20)24;/h4,6-9,12,19,21,25H,5,10-11,13H2,1-3H3;1H
InChIKey NPQWULKRLRGPAO-UHFFFAOYSA-N
Molecular Weight 473.828 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5646
Solvent DMSO-d6
Source Vendor ID: NMR/12718615