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4-[3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid
SpectraBase Compound ID 7zxdNJNcwWB
InChI InChI=1S/C21H18ClN3O3S/c1-12-4-5-13-10-14(21(22)23-15(13)9-12)17-11-16(18-3-2-8-29-18)24-25(17)19(26)6-7-20(27)28/h2-5,8-10,17H,6-7,11H2,1H3,(H,27,28)
InChIKey DBMNBIAZHULRQA-UHFFFAOYSA-N
Mol Weight 427.91 g/mol
Molecular Formula C21H18ClN3O3S
Exact Mass 427.07574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7mpHZp9bUe
Name 4-[3-(2-chloranyl-7-methyl-quinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoic acid
Alternate Name(s) 4-[3-(2-chloro-7-methyl-3-quinolinyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid 4-[3-(2-chloro-7-methyl-3-quinolyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoic acid 4-[3-(2-chloro-7-methylquinolin-3-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid 4-[5-(2-chloro-7-methyl-3-quinolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-keto-butyric acid
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Formula C21H18ClN3O3S
InChI InChI=1S/C21H18ClN3O3S/c1-12-4-5-13-10-14(21(22)23-15(13)9-12)17-11-16(18-3-2-8-29-18)24-25(17)19(26)6-7-20(27)28/h2-5,8-10,17H,6-7,11H2,1H3,(H,27,28)
InChIKey DBMNBIAZHULRQA-UHFFFAOYSA-N
Molecular Weight 427.906 g/mol
SMILES OC(CCC(N1N=C(c2sccc2)CC1c1c(nc2c(c1)ccc(C)c2)Cl)=O)=O
SPLASH splash10-0006-9411000000-9e12ed9ba3b8a9862d56
Wiley ID 1453446