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1-(2-methylbenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID 20bSCN6UFEV
InChI InChI=1S/C20H26N2S.C2H2O4/c1-17-5-3-4-6-19(17)16-22-13-11-21(12-14-22)15-18-7-9-20(23-2)10-8-18;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey OXVONTMGHXGGIP-UHFFFAOYSA-N
Mol Weight 416.54 g/mol
Molecular Formula C22H28N2O4S
Exact Mass 416.176979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1hXDzI0qyAD
Name 1-(2-methylbenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
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/C20H26N2S.C2H2O4/c1-17-5-3-4-6-19(17)16-22-13-11-21(12-14-22)15-18-7-9-20(23-2)10-8-18;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey OXVONTMGHXGGIP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8435
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: UZI/9030434; UBI_ID: UBI-008438
Temperature 318 °C