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3H-pyrazol-3-one, 2-(4-fluorophenyl)-1,2-dihydro-4-[(E)-[[(E)-(4-methoxyphenyl)methyl]imino]methyl]-5-propyl-
SpectraBase Compound ID 13KYCqeHOXJ
InChI InChI=1S/C21H22FN3O2/c1-3-4-20-19(14-23-13-15-5-11-18(27-2)12-6-15)21(26)25(24-20)17-9-7-16(22)8-10-17/h5-12,14,24H,3-4,13H2,1-2H3/b23-14+
InChIKey LGGWGHPIMBJDPE-OEAKJJBVSA-N
Mol Weight 367.42 g/mol
Molecular Formula C21H22FN3O2
Exact Mass 367.169605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DW60deEHpK6
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-1,2-dihydro-4-[(E)-[[(E)-(4-methoxyphenyl)methyl]imino]methyl]-5-propyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.169605121 u
Formula C21H22FN3O2
InChI InChI=1S/C21H22FN3O2/c1-3-4-20-19(14-23-13-15-5-11-18(27-2)12-6-15)21(26)25(24-20)17-9-7-16(22)8-10-17/h5-12,14,24H,3-4,13H2,1-2H3/b23-14+
InChIKey LGGWGHPIMBJDPE-OEAKJJBVSA-N
Molecular Weight 367.424 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15656
Solvent DMSO-d6
Source Vendor ID: NMR/11230434; Lab Info: PRE; Lab Number: PRE-cors043