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1-(3,4-dimethoxybenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
SpectraBase Compound ID EV58ABB0shx
InChI InChI=1S/C21H26N2O3S/c1-25-19-9-6-17(14-20(19)26-2)21(24)23-12-10-22(11-13-23)15-16-4-7-18(27-3)8-5-16/h4-9,14H,10-13,15H2,1-3H3/p+1
InChIKey GLTHFWYFPBBCRO-UHFFFAOYSA-O
Mol Weight 387.52 g/mol
Molecular Formula C21H27N2O3S
Exact Mass 387.174239 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4jx6dVzG9HX
Name 1-(3,4-dimethoxybenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
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/C21H26N2O3S/c1-25-19-9-6-17(14-20(19)26-2)21(24)23-12-10-22(11-13-23)15-16-4-7-18(27-3)8-5-16/h4-9,14H,10-13,15H2,1-3H3/p+1
InChIKey GLTHFWYFPBBCRO-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13726
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/9311733; UBI_ID: UBI-013729
Temperature 318 °C