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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 23rK7snf4NA
Name benzonitrile, 2-chloro-5-fluoro-4-[4-(1-oxopropyl)-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 295.088767977 u
Formula C14H15ClFN3O
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
Molecular Weight 295.745 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16895
Solvent DMSO-d6
Source Vendor ID: NMR/11211165; Lab Info: LIP; Lab Number: LIP-0001657