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4-[(3-Diethylamino-propylamino)-methylene]-2-(4-fluoro-phenyl)-5-propyl-2,4-dihydro-pyrazol-3-one
SpectraBase Compound ID 8zWSYzE0ivx
InChI InChI=1S/C20H29FN4O/c1-4-8-19-18(15-22-13-7-14-24(5-2)6-3)20(26)25(23-19)17-11-9-16(21)10-12-17/h9-12,15,22H,4-8,13-14H2,1-3H3/b18-15+
InChIKey DTLZHJPFEXXOSH-OBGWFSINSA-N
Mol Weight 360.48 g/mol
Molecular Formula C20H29FN4O
Exact Mass 360.23254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6EbnUMQJnh
Name 4-[(3-Diethylamino-propylamino)-methylene]-2-(4-fluoro-phenyl)-5-propyl-2,4-dihydro-pyrazol-3-one
Comments Computed using HOSE algorithm
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Exact Mass 360.232539732 u
Formula C20H29FN4O
InChI InChI=1S/C20H29FN4O/c1-4-8-19-18(15-22-13-7-14-24(5-2)6-3)20(26)25(23-19)17-11-9-16(21)10-12-17/h9-12,15,22H,4-8,13-14H2,1-3H3/b18-15+
InChIKey DTLZHJPFEXXOSH-OBGWFSINSA-N
Molecular Weight 360.477 g/mol
SMILES CCCC=1\C(C(N(C2=CC=C(C=C2)F)N1)=O)=C/NCCCN(CC)CC