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1-[4-(2,6-dimethoxyphenoxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium chloride
SpectraBase Compound ID EjKZ479mAG6
InChI InChI=1S/C23H29F3N2O3.ClH/c1-29-20-9-6-10-21(30-2)22(20)31-16-4-3-11-27-12-14-28(15-13-27)19-8-5-7-18(17-19)23(24,25)26;/h5-10,17H,3-4,11-16H2,1-2H3;1H
InChIKey ULESUISWXDOIMU-UHFFFAOYSA-N
Mol Weight 474.95 g/mol
Molecular Formula C23H30ClF3N2O3
Exact Mass 474.189705 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9HnQqP4Tlj6
Name 1-[4-(2,6-dimethoxyphenoxy)butyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium 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/C23H29F3N2O3.ClH/c1-29-20-9-6-10-21(30-2)22(20)31-16-4-3-11-27-12-14-28(15-13-27)19-8-5-7-18(17-19)23(24,25)26;/h5-10,17H,3-4,11-16H2,1-2H3;1H
InChIKey ULESUISWXDOIMU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13499
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: 102205; Labnumber: PSNS1-0350; VK_ID: VK-013504
Temperature 308 °C