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1-(3-fluorobenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
SpectraBase Compound ID 7S80pQMZuzT
InChI InChI=1S/C19H21FN2OS/c1-24-18-7-5-15(6-8-18)14-21-9-11-22(12-10-21)19(23)16-3-2-4-17(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1
InChIKey HWHOBIHVDFJUMW-UHFFFAOYSA-O
Mol Weight 345.46 g/mol
Molecular Formula C19H22FN2OS
Exact Mass 345.143688 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HxCOWnDxv20
Name 1-(3-fluorobenzoyl)-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/C19H21FN2OS/c1-24-18-7-5-15(6-8-18)14-21-9-11-22(12-10-21)19(23)16-3-2-4-17(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1
InChIKey HWHOBIHVDFJUMW-UHFFFAOYSA-O
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20907
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/9318315; UBI_ID: UBI-020911
Temperature 308 °C