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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(4-methyl-1-piperazinyl)amino]methylene]-5-propyl-, (4E)-
SpectraBase Compound ID 4Zdjy78HgEJ
InChI InChI=1S/C18H24FN5O/c1-3-4-17-16(13-20-23-11-9-22(2)10-12-23)18(25)24(21-17)15-7-5-14(19)6-8-15/h5-8,13,20H,3-4,9-12H2,1-2H3/b16-13+
InChIKey DMOYRGUHRVNDEO-DTQAZKPQSA-N
Mol Weight 345.42 g/mol
Molecular Formula C18H24FN5O
Exact Mass 345.196489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7KBx7lsNFE6
Name 3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-4-[[(4-methyl-1-piperazinyl)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 345.196488575 u
Formula C18H24FN5O
InChI InChI=1S/C18H24FN5O/c1-3-4-17-16(13-20-23-11-9-22(2)10-12-23)18(25)24(21-17)15-7-5-14(19)6-8-15/h5-8,13,20H,3-4,9-12H2,1-2H3/b16-13+
InChIKey DMOYRGUHRVNDEO-DTQAZKPQSA-N
Molecular Weight 345.422 g/mol
NMR Offset 17.9868
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14730
Solvent DMSO-d6
Source Vendor ID: NMR/11220372; Lab Info: PRE; Lab Number: PRE-s000059