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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(4-methylphenyl)amino]methylene]-5-propyl-, (4E)-
SpectraBase Compound ID 4nFWBM68Sfu
InChI InChI=1S/C20H20FN3O/c1-3-4-19-18(13-22-16-9-5-14(2)6-10-16)20(25)24(23-19)17-11-7-15(21)8-12-17/h5-13,22H,3-4H2,1-2H3/b18-13+
InChIKey GRKKHVHLWFKZBU-QGOAFFKASA-N
Mol Weight 337.4 g/mol
Molecular Formula C20H20FN3O
Exact Mass 337.15904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7zMLDcc1vE4
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(4-methylphenyl)amino]methylene]-5-propyl-, (4E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.159040438 u
Formula C20H20FN3O
InChI InChI=1S/C20H20FN3O/c1-3-4-19-18(13-22-16-9-5-14(2)6-10-16)20(25)24(23-19)17-11-7-15(21)8-12-17/h5-13,22H,3-4H2,1-2H3/b18-13+
InChIKey GRKKHVHLWFKZBU-QGOAFFKASA-N
Molecular Weight 337.398 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12854
Solvent DMSO-d6
Source Vendor ID: NMR/10270963; Lab Info: PRE; Lab Number: PRE-0000001