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3H-pyrazol-3-one, 4-[(cycloheptylamino)methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-
SpectraBase Compound ID 7QH3c4MOf8E
InChI InChI=1S/C20H26FN3O/c1-2-7-19-18(14-22-16-8-5-3-4-6-9-16)20(25)24(23-19)17-12-10-15(21)11-13-17/h10-14,16,22H,2-9H2,1H3/b18-14+
InChIKey OCKYZZPYLYELHG-NBVRZTHBSA-N
Mol Weight 343.45 g/mol
Molecular Formula C20H26FN3O
Exact Mass 343.205991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Gs5si58hko
Name 3H-pyrazol-3-one, 4-[(cycloheptylamino)methylene]-2-(4-fluorophenyl)-2,4-dihydro-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 343.205990631 u
Formula C20H26FN3O
InChI InChI=1S/C20H26FN3O/c1-2-7-19-18(14-22-16-8-5-3-4-6-9-16)20(25)24(23-19)17-12-10-15(21)11-13-17/h10-14,16,22H,2-9H2,1H3/b18-14+
InChIKey OCKYZZPYLYELHG-NBVRZTHBSA-N
Molecular Weight 343.446 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14543
Solvent DMSO-d6
Source Vendor ID: NMR/11220361; Lab Info: PRE; Lab Number: PRE-s000049