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1-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]-4-methylpiperazinediium dichloride
SpectraBase Compound ID F2nd5KDUgMd
InChI InChI=1S/C20H31N3.2ClH/c1-17(2)20(16-21,19-9-6-5-8-18(19)3)10-7-11-23-14-12-22(4)13-15-23;;/h5-6,8-9,17H,7,10-15H2,1-4H3;2*1H
InChIKey VSAYVIYTKPZVOT-UHFFFAOYSA-N
Mol Weight 386.41 g/mol
Molecular Formula C20H33Cl2N3
Exact Mass 385.205153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2JTiqwylJTg
Name 1-[4-cyano-5-methyl-4-(2-methylphenyl)hexyl]-4-methylpiperazinediium 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/C20H31N3.2ClH/c1-17(2)20(16-21,19-9-6-5-8-18(19)3)10-7-11-23-14-12-22(4)13-15-23;;/h5-6,8-9,17H,7,10-15H2,1-4H3;2*1H
InChIKey VSAYVIYTKPZVOT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14801
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: 987/00000583; Labnumber: 987/00000583218806; VK_ID: VK-014806
Temperature 318 °C