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5-Amino-3-[1-cyano-2-[3-(4-fluoro-phenyl)-1H-pyrazol-4-yl]-vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 5sz27ZXy3m4
InChI InChI=1S/C22H14FN7/c23-17-8-6-14(7-9-17)20-16(13-27-28-20)10-15(11-24)21-19(12-25)22(26)30(29-21)18-4-2-1-3-5-18/h1-10,13H,26H2,(H,27,28)/b15-10+
InChIKey XIMBJGAKOKVNAR-XNTDXEJSSA-N
Mol Weight 395.4 g/mol
Molecular Formula C22H14FN7
Exact Mass 395.129472 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 20yEz8Z83p8
Name 1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-alpha-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene]-1-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.129471642 u
Formula C22H14FN7
InChI InChI=1S/C22H14FN7/c23-17-8-6-14(7-9-17)20-16(13-27-28-20)10-15(11-24)21-19(12-25)22(26)30(29-21)18-4-2-1-3-5-18/h1-10,13H,26H2,(H,27,28)/b15-10+
InChIKey XIMBJGAKOKVNAR-XNTDXEJSSA-N
Molecular Weight 395.401 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14824
Solvent DMSO-d6
Source Vendor ID: NMR/10320251; Lab Info: SAD; Lab Number: 57