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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(2-phenylethyl)amino]methylene]-5-propyl-, (4E)-
SpectraBase Compound ID HTjkbS37ekn
InChI InChI=1S/C21H22FN3O/c1-2-6-20-19(15-23-14-13-16-7-4-3-5-8-16)21(26)25(24-20)18-11-9-17(22)10-12-18/h3-5,7-12,15,23H,2,6,13-14H2,1H3/b19-15+
InChIKey AVRHONIJAVZGJH-XDJHFCHBSA-N
Mol Weight 351.43 g/mol
Molecular Formula C21H22FN3O
Exact Mass 351.174691 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JfVYaHfQ1kI
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(2-phenylethyl)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 351.174690502 u
Formula C21H22FN3O
InChI InChI=1S/C21H22FN3O/c1-2-6-20-19(15-23-14-13-16-7-4-3-5-8-16)21(26)25(24-20)18-11-9-17(22)10-12-18/h3-5,7-12,15,23H,2,6,13-14H2,1H3/b19-15+
InChIKey AVRHONIJAVZGJH-XDJHFCHBSA-N
Molecular Weight 351.425 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14540
Solvent DMSO-d6
Source Vendor ID: NMR/11220356; Lab Info: PRE; Lab Number: PRE-s000044