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3-[4-(3,5-dibromo-4-hydroxy-benzylidene)-5-oxo-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl]-benzoic acid
SpectraBase Compound ID Kyp12dEhfSQ
InChI InChI=1S/C18H9Br2F3N2O4/c19-12-5-8(6-13(20)14(12)26)4-11-15(18(21,22)23)24-25(16(11)27)10-3-1-2-9(7-10)17(28)29/h1-7,26H,(H,28,29)/b11-4+
InChIKey BDGKRRGVOMGZHW-NYYWCZLTSA-N
Mol Weight 534.08 g/mol
Molecular Formula C18H9Br2F3N2O4
Exact Mass 531.888117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RwGs0SQJhJ
Name 3-[4-(3,5-dibromo-4-hydroxy-benzylidene)-5-oxo-3-trifluoromethyl-4,5-dihydro-pyrazol-1-yl]-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H9Br2F3N2O4
InChI InChI=1S/C18H9Br2F3N2O4/c19-12-5-8(6-13(20)14(12)26)4-11-15(18(21,22)23)24-25(16(11)27)10-3-1-2-9(7-10)17(28)29/h1-7,26H,(H,28,29)/b11-4+
InChIKey BDGKRRGVOMGZHW-NYYWCZLTSA-N
Molecular Weight 534.083 g/mol
SMILES OC(c1cc(N2N=C(\C(=C/c3cc(c(c(c3)Br)O)Br)C2=O)C(F)(F)F)ccc1)=O
SPLASH splash10-001i-9421050000-f4d0dca67cb3a6c0dee3
Synonyms 3-[(4E)-4-(3,5-dibromo-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid 3-[4-(3,5-dibromo-4-hydroxybenzylidene)-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Wiley ID 1436693