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3-(4-{[5-(4-bromophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID Fsoc9iYQGfj
InChI InChI=1S/C22H15BrN2O4/c1-13-19(12-18-9-10-20(29-18)14-5-7-16(23)8-6-14)21(26)25(24-13)17-4-2-3-15(11-17)22(27)28/h2-12H,1H3,(H,27,28)/b19-12+
InChIKey JFPHNRQUQCPKSL-XDHOZWIPSA-N
Mol Weight 451.28 g/mol
Molecular Formula C22H15BrN2O4
Exact Mass 450.02152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e5ecB9nPtY
Name 3-(4-{[5-(4-bromophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15BrN2O4
InChI InChI=1S/C22H15BrN2O4/c1-13-19(12-18-9-10-20(29-18)14-5-7-16(23)8-6-14)21(26)25(24-13)17-4-2-3-15(11-17)22(27)28/h2-12H,1H3,(H,27,28)/b19-12+
InChIKey JFPHNRQUQCPKSL-XDHOZWIPSA-N
Molecular Weight 451.276 g/mol
SMILES OC(c1cc(N2C(\C(C(=N2)C)=C\c2oc(-c3ccc(cc3)Br)cc2)=O)ccc1)=O
SPLASH splash10-0udi-1430900000-935c96b83f2878749757
Synonyms 3-((4E)-4-{[5-(4-bromophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid 3-[4-[5-(4-bromo-phenyl)-furan-2-ylmethylene]-3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl]-benzoic acid
Wiley ID 1454868