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2-Chloro-5-fluoro-4-(4-propionyl-piperazin-1-yl)-benzonitrile

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

2-Chloro-5-fluoro-4-(4-propionyl-piperazin-1-yl)-benzonitrile
SpectraBase Compound ID 78ypxdSsBqd
InChI InChI=1S/C14H15ClFN3O/c1-2-14(20)19-5-3-18(4-6-19)13-8-11(15)10(9-17)7-12(13)16/h7-8H,2-6H2,1H3
InChIKey YYEYCHOPWTWCEK-UHFFFAOYSA-N
Mol Weight 295.75 g/mol
Molecular Formula C14H15ClFN3O
Exact Mass 295.088768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BCdwyvH1Oii
Name 2-chloro-5-fluoro-4-(4-propionyl-1-piperazinyl)benzonitrile
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/C14H15ClFN3O/c1-2-14(20)19-5-3-18(4-6-19)13-8-11(15)10(9-17)7-12(13)16/h7-8H,2-6H2,1H3
InChIKey YYEYCHOPWTWCEK-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5226
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: NMR/11211165; Labnumber: LIP-0001657; IOH_ID: IOH-005227