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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(phenylmethyl)amino]methylene]-5-propyl-, (4E)-
SpectraBase Compound ID AhQvVncXn0G
InChI InChI=1S/C20H20FN3O/c1-2-6-19-18(14-22-13-15-7-4-3-5-8-15)20(25)24(23-19)17-11-9-16(21)10-12-17/h3-5,7-12,14,22H,2,6,13H2,1H3/b18-14+
InChIKey SEQJYIXCEJRACN-NBVRZTHBSA-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 6NVDcVcNVZy
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(phenylmethyl)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/c1-2-6-19-18(14-22-13-15-7-4-3-5-8-15)20(25)24(23-19)17-11-9-16(21)10-12-17/h3-5,7-12,14,22H,2,6,13H2,1H3/b18-14+
InChIKey SEQJYIXCEJRACN-NBVRZTHBSA-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_14716
Solvent DMSO-d6
Source Vendor ID: NMR/11220353; Lab Info: PRE; Lab Number: PRE-s000041