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4-Chloranyl-3-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
SpectraBase Compound ID 93CA2Xazusu
InChI InChI=1S/C22H15ClN2O4/c1-13-17(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)18-11-14(22(27)28)7-9-19(18)23/h2-12H,1H3,(H,27,28)/b17-12+
InChIKey JVONPAIHJBUCCZ-SFQUDFHCSA-N
Mol Weight 406.83 g/mol
Molecular Formula C22H15ClN2O4
Exact Mass 406.072035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hnxjMQrsbp
Name 4-Chloranyl-3-[5-[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid
Alternate Name(s) 4-Chloro-3-[5-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-2-furanyl]benzoic acid 4-Chloro-3-[5-[(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-2-furyl]benzoic acid 4-Chloro-3-[5-[(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoic acid 4-Chloro-3-[5-[(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methyl]-2-furyl]benzoic acid
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Formula C22H15ClN2O4
InChI InChI=1S/C22H15ClN2O4/c1-13-17(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)18-11-14(22(27)28)7-9-19(18)23/h2-12H,1H3,(H,27,28)/b17-12+
InChIKey JVONPAIHJBUCCZ-SFQUDFHCSA-N
Molecular Weight 406.825 g/mol
SMILES OC(c1cc(-c2oc(\C=C\3C(N(c4ccccc4)N=C3C)=O)cc2)c(cc1)Cl)=O
SPLASH splash10-0a4i-7980700000-fca2664fafcc9540545a
Wiley ID 1444964