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4-(Benzothiazole-2-carbonyl)-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3qUP1wUnNHS
InChI InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-8-6-7-13(2)11-14)19(25)20-22-16-9-4-5-10-17(16)28-20/h4-12H,3H2,1-2H3
InChIKey WJKZEVAQFMJRJV-UHFFFAOYSA-N
Mol Weight 391.45 g/mol
Molecular Formula C21H17N3O3S
Exact Mass 391.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4byuOOmfm4t
Name 4-(Benzothiazole-2-carbonyl)-1-m-tolyl-1H-pyrazole-3-carboxylic acid ethyl ester
Alternate Name(s) 4-(1,3-benzothiazole-2-carbonyl)-1-(m-tolyl)pyrazole-3-carboxylic acid ethyl ester 4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(3-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester Ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(3-methylphenyl)-1H-pyrazole-3-carboxylate Ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(3-methylphenyl)pyrazole-3-carboxylate Ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(3-methylphenyl)pyrazole-3-carboxylate Ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(m-tolyl)pyrazole-3-carboxylate
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Formula C21H17N3O3S
InChI InChI=1S/C21H17N3O3S/c1-3-27-21(26)18-15(12-24(23-18)14-8-6-7-13(2)11-14)19(25)20-22-16-9-4-5-10-17(16)28-20/h4-12H,3H2,1-2H3
InChIKey WJKZEVAQFMJRJV-UHFFFAOYSA-N
Molecular Weight 391.445 g/mol
SMILES c1(c(n[n](c1)-c1cc(C)ccc1)C(=O)OCC)C(c1nc2ccccc2s1)=O
SPLASH splash10-0a4l-5495000000-3aee7be3c193faefb209
Wiley ID 1465510