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3H-pyrazol-3-one, 4-[(cyclopropylamino)methylene]-2-(4-fluorophenyl)-2,4-dihydro-5-propyl-, (4E)-
SpectraBase Compound ID BUaIj5fDZfp
InChI InChI=1S/C16H18FN3O/c1-2-3-15-14(10-18-12-6-7-12)16(21)20(19-15)13-8-4-11(17)5-9-13/h4-5,8-10,12,18H,2-3,6-7H2,1H3/b14-10+
InChIKey ULAABAFEHXIGCM-GXDHUFHOSA-N
Mol Weight 287.34 g/mol
Molecular Formula C16H18FN3O
Exact Mass 287.14339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyHrbwk4qyX
Name 3H-pyrazol-3-one, 4-[(cyclopropylamino)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 287.143390374 u
Formula C16H18FN3O
InChI InChI=1S/C16H18FN3O/c1-2-3-15-14(10-18-12-6-7-12)16(21)20(19-15)13-8-4-11(17)5-9-13/h4-5,8-10,12,18H,2-3,6-7H2,1H3/b14-10+
InChIKey ULAABAFEHXIGCM-GXDHUFHOSA-N
Molecular Weight 287.338 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14541
Solvent DMSO-d6
Source Vendor ID: NMR/11220359; Lab Info: PRE; Lab Number: PRE-s000047