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benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl ester
SpectraBase Compound ID 4HBUU2IjOF
InChI InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3/b17-13-
InChIKey JTGSUXKEJBVPKB-LGMDPLHJSA-N
Mol Weight 381.41 g/mol
Molecular Formula C21H20FN3O3
Exact Mass 381.14887 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Aq1ZzSQCqmc
Name benzoic acid, 2-[[(Z)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.148869676 u
Formula C21H20FN3O3
InChI InChI=1S/C21H20FN3O3/c1-3-6-19-17(13-23-18-8-5-4-7-16(18)21(27)28-2)20(26)25(24-19)15-11-9-14(22)10-12-15/h4-5,7-13,23H,3,6H2,1-2H3/b17-13-
InChIKey JTGSUXKEJBVPKB-LGMDPLHJSA-N
Molecular Weight 381.407 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13970
Solvent DMSO-d6
Source Vendor ID: NMR/10300864; Lab Info: PRE; Lab Number: PRE-P000023