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4-(4-Benzenesulfonyl-piperazin-1-yl)-2-chloro-5-fluoro-benzonitrile

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-(4-Benzenesulfonyl-piperazin-1-yl)-2-chloro-5-fluoro-benzonitrile
SpectraBase Compound ID JHfk6WiaSVY
InChI InChI=1S/C17H15ClFN3O2S/c18-15-11-17(16(19)10-13(15)12-20)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9H2
InChIKey DVBTXHYTOANGLI-UHFFFAOYSA-N
Mol Weight 379.84 g/mol
Molecular Formula C17H15ClFN3O2S
Exact Mass 379.055754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D1eEKovx6iJ
Name benzonitrile, 2-chloro-5-fluoro-4-[4-(phenylsulfonyl)-1-piperazinyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.055753770 u
Formula C17H15ClFN3O2S
InChI InChI=1S/C17H15ClFN3O2S/c18-15-11-17(16(19)10-13(15)12-20)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14/h1-5,10-11H,6-9H2
InChIKey DVBTXHYTOANGLI-UHFFFAOYSA-N
Molecular Weight 379.837 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16897
Solvent DMSO-d6
Source Vendor ID: NMR/11211167; Lab Info: LIP; Lab Number: LIP-0001660