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5-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-furyl)-2-chlorobenzoic acid
SpectraBase Compound ID IxDxzecuC15
InChI InChI=1S/C23H15ClN2O6/c1-12-17(21(27)26(25-12)15-4-2-3-14(9-15)22(28)29)11-16-6-8-20(32-16)13-5-7-19(24)18(10-13)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b17-11+
InChIKey XZRBYOCWWJMJRZ-GZTJUZNOSA-N
Mol Weight 450.83 g/mol
Molecular Formula C23H15ClN2O6
Exact Mass 450.061864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9esESay7dzf
Name 5-(5-{[1-(3-carboxyphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-furyl)-2-chlorobenzoic acid
Alternate Name(s) 5-[5-[(E)-[1-(3-carboxyphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoic acid 5-[5-[(E)-[1-(3-carboxyphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methyl]-2-furanyl]-2-chlorobenzoic acid 5-[5-[(E)-[1-(3-carboxyphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methyl]-2-furyl]-2-chloro-benzoic acid 5-[5-[(E)-[1-(3-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid 5-[5-[(E)-[1-(3-carboxyphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methyl]-2-furyl]-2-chloro-benzoic acid
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Formula C23H15ClN2O6
InChI InChI=1S/C23H15ClN2O6/c1-12-17(21(27)26(25-12)15-4-2-3-14(9-15)22(28)29)11-16-6-8-20(32-16)13-5-7-19(24)18(10-13)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b17-11+
InChIKey XZRBYOCWWJMJRZ-GZTJUZNOSA-N
Molecular Weight 450.834 g/mol
SMILES OC(c1cc(N2C(\C(=C\c3oc(-c4cc(C(=O)O)c(cc4)Cl)cc3)C(=N2)C)=O)ccc1)=O
SPLASH splash10-0udi-3690500000-efc079dbbc8ab594a361
Wiley ID 1454867