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piperidinium, 4-[[[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonio]methyl]-, dichloride
SpectraBase Compound ID Btj0NKcZy1F
InChI InChI=1S/C21H27ClN2O2.2ClH/c1-25-21-12-17(14-24-13-16-8-10-23-11-9-16)6-7-20(21)26-15-18-4-2-3-5-19(18)22;;/h2-7,12,16,23-24H,8-11,13-15H2,1H3;2*1H
InChIKey DMKDITCRGNWCGC-UHFFFAOYSA-N
Mol Weight 447.83 g/mol
Molecular Formula C21H29Cl3N2O2
Exact Mass 446.129461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E9ttcd28Xcu
Name piperidinium, 4-[[[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonio]methyl]-, dichloride
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/C21H27ClN2O2.2ClH/c1-25-21-12-17(14-24-13-16-8-10-23-11-9-16)6-7-20(21)26-15-18-4-2-3-5-19(18)22;;/h2-7,12,16,23-24H,8-11,13-15H2,1H3;2*1H
InChIKey DMKDITCRGNWCGC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3655
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: F18027; Labnumber: SPHRAM1-35220