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3-{2-chloro[(4-chlorophenoxy)acetyl]anilino}-1-azoniabicyclo[2.2.2]octane chloride
SpectraBase Compound ID 5UmNv1ymiV1
InChI InChI=1S/C21H22Cl2N2O2.ClH/c22-16-5-7-17(8-6-16)27-14-21(26)25(19-4-2-1-3-18(19)23)20-13-24-11-9-15(20)10-12-24;/h1-8,15,20H,9-14H2;1H
InChIKey ZMVPAPRULSNXAU-UHFFFAOYSA-N
Mol Weight 441.79 g/mol
Molecular Formula C21H23Cl3N2O2
Exact Mass 440.082511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FnIXe80f6W
Name 3-{2-chloro[(4-chlorophenoxy)acetyl]anilino}-1-azoniabicyclo[2.2.2]octane chloride
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22Cl2N2O2.ClH/c22-16-5-7-17(8-6-16)27-14-21(26)25(19-4-2-1-3-18(19)23)20-13-24-11-9-15(20)10-12-24;/h1-8,15,20H,9-14H2;1H
InChIKey ZMVPAPRULSNXAU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24023
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D44168; Labnumber: EGOR-131; SBI_ID: SBI-024027
Temperature 308 °C