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1-benzyl-4-{3-[2-(methoxycarbonyl)phenoxy]propyl}piperazinediium dichloride
SpectraBase Compound ID DbD5Gmpwj0X
InChI InChI=1S/C22H28N2O3.2ClH/c1-26-22(25)20-10-5-6-11-21(20)27-17-7-12-23-13-15-24(16-14-23)18-19-8-3-2-4-9-19;;/h2-6,8-11H,7,12-18H2,1H3;2*1H
InChIKey GPARPFNCFNLGKH-UHFFFAOYSA-N
Mol Weight 441.4 g/mol
Molecular Formula C22H30Cl2N2O3
Exact Mass 440.163348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID De5LNEUQLh0
Name 1-benzyl-4-{3-[2-(methoxycarbonyl)phenoxy]propyl}piperazinediium 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/C22H28N2O3.2ClH/c1-26-22(25)20-10-5-6-11-21(20)27-17-7-12-23-13-15-24(16-14-23)18-19-8-3-2-4-9-19;;/h2-6,8-11H,7,12-18H2,1H3;2*1H
InChIKey GPARPFNCFNLGKH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17607
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: 987/00005844; Labnumber: 987/00005844218871; VK_ID: VK-017612
Temperature 318 °C