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2-azetidinemethanaminium, 3-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)-4-oxo-, chloride
SpectraBase Compound ID YwEWhcsoSD
InChI InChI=1S/C27H29ClN2O4.ClH/c1-18-6-4-5-7-22(18)30-23(26(27(30)31)34-21-11-9-20(28)10-12-21)17-29-15-14-19-8-13-24(32-2)25(16-19)33-3;/h4-13,16,23,26,29H,14-15,17H2,1-3H3;1H
InChIKey NHUWUJOIAOAMOS-UHFFFAOYSA-N
Mol Weight 517.45 g/mol
Molecular Formula C27H30Cl2N2O4
Exact Mass 516.158263 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5AzybQMEWTV
Name 2-azetidinemethanaminium, 3-(4-chlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-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 516.158262850 u
Formula C27H30Cl2N2O4
InChI InChI=1S/C27H29ClN2O4.ClH/c1-18-6-4-5-7-22(18)30-23(26(27(30)31)34-21-11-9-20(28)10-12-21)17-29-15-14-19-8-13-24(32-2)25(16-19)33-3;/h4-13,16,23,26,29H,14-15,17H2,1-3H3;1H
InChIKey NHUWUJOIAOAMOS-UHFFFAOYSA-N
Molecular Weight 517.453 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_5692
Solvent DMSO-d6
Source Vendor ID: NMR/12708805