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benzoic acid, 4-[(4Z)-4-[(2,3-dihydro-2-methyl-5-benzofuranyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
SpectraBase Compound ID 8zrwi6WW3ae
InChI InChI=1S/C21H18N2O4/c1-12-9-16-10-14(3-8-19(16)27-12)11-18-13(2)22-23(20(18)24)17-6-4-15(5-7-17)21(25)26/h3-8,10-12H,9H2,1-2H3,(H,25,26)/b18-11-
InChIKey YDPGPSHUSXQXEG-WQRHYEAKSA-N
Mol Weight 362.39 g/mol
Molecular Formula C21H18N2O4
Exact Mass 362.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75sLzBoU130
Name 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid
Alternate Name(s) 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-oxopyrazol-1-yl]benzoic acid 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylene]-5-oxo-pyrazol-1-yl]benzoic acid 4-[(4Z)-3-methyl-4-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methylidene]-5-oxo-1-pyrazolyl]benzoic acid 4-[(4Z)-5-keto-3-methyl-4-[(2-methylcoumaran-5-yl)methylene]-2-pyrazolin-1-yl]benzoic acid
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Formula C21H18N2O4
InChI InChI=1S/C21H18N2O4/c1-12-9-16-10-14(3-8-19(16)27-12)11-18-13(2)22-23(20(18)24)17-6-4-15(5-7-17)21(25)26/h3-8,10-12H,9H2,1-2H3,(H,25,26)/b18-11-
InChIKey YDPGPSHUSXQXEG-WQRHYEAKSA-N
Molecular Weight 362.385 g/mol
SMILES OC(c1ccc(N2C(\C(C(=N2)C)=C/c2cc3CC(C)Oc3cc2)=O)cc1)=O
SPLASH splash10-03dr-9713000000-cb334cc74e5f29c97495
Wiley ID 1453661