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1-(3-methoxybenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
SpectraBase Compound ID 7gdKJFWOma3
InChI InChI=1S/C20H24N2O2S/c1-24-18-5-3-4-17(14-18)20(23)22-12-10-21(11-13-22)15-16-6-8-19(25-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1
InChIKey XZXATZXFYMGKCI-UHFFFAOYSA-O
Mol Weight 357.49 g/mol
Molecular Formula C20H25N2O2S
Exact Mass 357.163674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6UFprY7ETUB
Name 1-(3-methoxybenzoyl)-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/C20H24N2O2S/c1-24-18-5-3-4-17(14-18)20(23)22-12-10-21(11-13-22)15-16-6-8-19(25-2)9-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1
InChIKey XZXATZXFYMGKCI-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13775
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/9312103; UBI_ID: UBI-013778
Temperature 318 °C