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3H-pyrazol-3-one, 2-(4-fluorophenyl)-1,2-dihydro-4-[(E)-[[(E)-(4-methoxyphenyl)methyl]imino]methyl]-5-propyl-
SpectraBase Compound ID 13KYCqeHOXJ
InChI InChI=1S/C21H22FN3O2/c1-3-4-20-19(14-23-13-15-5-11-18(27-2)12-6-15)21(26)25(24-20)17-9-7-16(22)8-10-17/h5-12,14,24H,3-4,13H2,1-2H3/b23-14+
InChIKey LGGWGHPIMBJDPE-OEAKJJBVSA-N
Mol Weight 367.42 g/mol
Molecular Formula C21H22FN3O2
Exact Mass 367.169605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDqHmWTZalR
Name 2-(4-Fluoro-phenyl)-4-[(4-methoxy-benzylimino)-methyl]-5-propyl-1,2-dihydro-pyrazol-3-one
Alternate Name(s) 2-(4-fluorophenyl)-4-((E)-{[(E)-(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one 2-(4-Fluorophenyl)-4-({[(4-methoxyphenyl)methyl]imino}methyl)-5-propyl-1,2-dihydro-3H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22FN3O2
InChI InChI=1S/C21H22FN3O2/c1-3-4-20-19(14-23-13-15-5-11-18(27-2)12-6-15)21(26)25(24-20)17-9-7-16(22)8-10-17/h5-12,14,24H,3-4,13H2,1-2H3/b23-14+
InChIKey LGGWGHPIMBJDPE-OEAKJJBVSA-N
Molecular Weight 367.424 g/mol
SMILES N1C(=C(C(N1c1ccc(cc1)F)=O)\C=N\Cc1ccc(cc1)OC)CCC
SPLASH splash10-00xr-3914000000-156dbf17fda114ee0197
Wiley ID 1452987