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(4Z)-4-[4-(dimethylamino)benzylidene]-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID EnBTX440SmU
InChI InChI=1S/C19H18FN3O/c1-13-18(12-14-4-8-16(9-5-14)22(2)3)19(24)23(21-13)17-10-6-15(20)7-11-17/h4-12H,1-3H3/b18-12-
InChIKey BIRNYNDGPHXWQJ-PDGQHHTCSA-N
Mol Weight 323.37 g/mol
Molecular Formula C19H18FN3O
Exact Mass 323.14339 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wHcDB4km75
Name (4Z)-4-[4-(Dimethylamino)benzylidene]-2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.143390374 u
Formula C19H18FN3O
InChI InChI=1S/C19H18FN3O/c1-13-18(12-14-4-8-16(9-5-14)22(2)3)19(24)23(21-13)17-10-6-15(20)7-11-17/h4-12H,1-3H3/b18-12-
InChIKey BIRNYNDGPHXWQJ-PDGQHHTCSA-N
Molecular Weight 323.371 g/mol
SMILES C1(\C(C(=NN1C=1C=CC(=CC1)F)C)=C/C1=CC=C(C=C1)N(C)C)=O