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2-Chloro-5-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID GJboJiEYS2e
InChI InChI=1S/C23H14ClF3N2O4/c1-12-17(21(30)29(28-12)15-5-7-19(24)18(10-15)22(31)32)11-16-6-8-20(33-16)13-3-2-4-14(9-13)23(25,26)27/h2-11H,1H3,(H,31,32)/b17-11+
InChIKey QMRZCFOVKCCFKU-GZTJUZNOSA-N
Mol Weight 474.82 g/mol
Molecular Formula C23H14ClF3N2O4
Exact Mass 474.059419 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSCLe2dJJlu
Name 2-Chloro-5-[3-methyl-5-oxo-4-({5-[3-(trifluoromethyl)phenyl]-2-furyl}methylene)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Alternate Name(s) 2-Chloranyl-5-[(4E)-3-methyl-5-oxidanylidene-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid 2-Chloro-5-[(4E)-3-methyl-5-oxo-4-[[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methylidene]-1-pyrazolyl]benzoic acid 2-Chloro-5-[(4E)-3-methyl-5-oxo-4-[[5-[3-(trifluoromethyl)phenyl]-2-furyl]methylene]pyrazol-1-yl]benzoic acid 2-Chloro-5-[(4E)-3-methyl-5-oxo-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]pyrazol-1-yl]benzoic acid 2-Chloro-5-[(4E)-5-keto-3-methyl-4-[[5-[3-(trifluoromethyl)phenyl]-2-furyl]methylene]-2-pyrazolin-1-yl]benzoic acid
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Formula C23H14ClF3N2O4
InChI InChI=1S/C23H14ClF3N2O4/c1-12-17(21(30)29(28-12)15-5-7-19(24)18(10-15)22(31)32)11-16-6-8-20(33-16)13-3-2-4-14(9-13)23(25,26)27/h2-11H,1H3,(H,31,32)/b17-11+
InChIKey QMRZCFOVKCCFKU-GZTJUZNOSA-N
Molecular Weight 474.823 g/mol
SMILES OC(c1cc(N2C(\C(=C\c3oc(-c4cc(C(F)(F)F)ccc4)cc3)C(=N2)C)=O)ccc1Cl)=O
SPLASH splash10-0229-9840200000-f6d1d248335ae84176ed
Wiley ID 1438998