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1-(2-fluorobenzoyl)-4-[4-(methylsulfanyl)benzyl]piperazin-4-ium
SpectraBase Compound ID 5KnZYM8M8nV
InChI InChI=1S/C19H21FN2OS/c1-24-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3/p+1
InChIKey CNCVFKNVPPUYSI-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 JcKAFgWjMgc
Name 1-(2-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/c1-24-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)19(23)17-4-2-3-5-18(17)20/h2-9H,10-14H2,1H3/p+1
InChIKey CNCVFKNVPPUYSI-UHFFFAOYSA-O
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20946
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/9319523; UBI_ID: UBI-020950
Temperature 308 °C