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1-(2-chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate

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1-(2-chlorobenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID ALXG5U3KFH0
InChI InChI=1S/C19H23ClN2S.C2H2O4/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKey FIOYMGXACAFDKW-UHFFFAOYSA-N
Mol Weight 436.95 g/mol
Molecular Formula C21H25ClN2O4S
Exact Mass 436.122356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66CSEqhp1vr
Name 1-(2-chlorobenzyl)-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/C19H23ClN2S.C2H2O4/c1-23-18-8-6-16(7-9-18)14-21-10-12-22(13-11-21)15-17-4-2-3-5-19(17)20;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)
InChIKey FIOYMGXACAFDKW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13032
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/9030924; UBI_ID: UBI-013035
Temperature 308 °C