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(4E)-2-(3-chlorophenyl)-4-[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzylidene]-5-methyl-2-pyrazolin-3-one
SpectraBase Compound ID 27zTh4NRYcv
InChI InChI=1S/C25H17ClF3N3O5/c1-14-19(24(33)31(30-14)17-5-3-4-16(26)12-17)10-15-6-8-22(23(11-15)36-2)37-21-9-7-18(32(34)35)13-20(21)25(27,28)29/h3-13H,1-2H3/b19-10+
InChIKey MQQMOPYGMIGFPL-VXLYETTFSA-N
Mol Weight 531.88 g/mol
Molecular Formula C25H17ClF3N3O5
Exact Mass 531.080883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BSTWNA7aTE
Name (4E)-2-(3-chlorophenyl)-4-[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]benzylidene]-5-methyl-2-pyrazolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17ClF3N3O5
InChI InChI=1S/C25H17ClF3N3O5/c1-14-19(24(33)31(30-14)17-5-3-4-16(26)12-17)10-15-6-8-22(23(11-15)36-2)37-21-9-7-18(32(34)35)13-20(21)25(27,28)29/h3-13H,1-2H3/b19-10+
InChIKey MQQMOPYGMIGFPL-VXLYETTFSA-N
Molecular Weight 531.875 g/mol
SMILES C1(\C(C(=NN1c1cc(Cl)ccc1)C)=C\c1cc(OC)c(Oc2c(C(F)(F)F)cc(N(=O)=O)cc2)cc1)=O
SPLASH splash10-00lr-4941050000-8d2c29bbe984fba89697
Synonyms (4E)-2-(3-chlorophenyl)-4-[[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]methylene]-5-methyl-pyrazol-3-one (4E)-2-(3-chlorophenyl)-4-[[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]methylidene]-5-methyl-3-pyrazolone (4E)-2-(3-chlorophenyl)-4-[[3-methoxy-4-[4-nitro-2-(trifluoromethyl)phenoxy]phenyl]methylidene]-5-methyl-pyrazol-3-one
Wiley ID 1463351