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1-(3-Chloro-p-tolyl)-4-{3-[p-(1,1,3,3-tetramethylbutyl)phenoxy]propyl}piperazine, monohydrochloride
SpectraBase Compound ID JcOm34klFXb
InChI InChI=1S/C28H41ClN2O.ClH/c1-22-8-11-24(20-26(22)29)31-17-15-30(16-18-31)14-7-19-32-25-12-9-23(10-13-25)28(5,6)21-27(2,3)4;/h8-13,20H,7,14-19,21H2,1-6H3;1H
InChIKey JPQSEAPYKUMHNS-UHFFFAOYSA-N
Mol Weight 493.56 g/mol
Molecular Formula C28H42Cl2N2O
Exact Mass 492.267419 g/mol
Parent InChIKey CKSDKVQVVABRPI-UHFFFAOYSA-N
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Copyright Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
Solvent DMSO-d6
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number S52779
Technique KBr WAFER
  • PIPERAZINE, 1-/3-CHLORO-P-TOLYL/- 4-/3-/P-/1,1,3,3-TETRAMETHYLBUTYL/PHENOXY/PROPYL/-, MONOHYDROCHLORIDE
  • 1-(3-chloro-4-methylphenyl)-4-{3-[4-(1,1,3,3-tetramethylbutyl)phenoxy]propyl}piperazin-4-ium chloride

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