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1H-pyrazole-3-carboxylic acid, 4-(2-benzothiazolylcarbonyl)-1-(4-bromophenyl)-, ethyl ester
SpectraBase Compound ID D5JbvQ03Fvb
InChI InChI=1S/C20H14BrN3O3S/c1-2-27-20(26)17-14(11-24(23-17)13-9-7-12(21)8-10-13)18(25)19-22-15-5-3-4-6-16(15)28-19/h3-11H,2H2,1H3
InChIKey SRPGXSXGSRTKJZ-UHFFFAOYSA-N
Mol Weight 456.31 g/mol
Molecular Formula C20H14BrN3O3S
Exact Mass 454.993925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LN1g6AMDjJW
Name 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylic acid ethyl ester
Alternate Name(s) 4-[1,3-benzothiazol-2-yl(oxo)methyl]-1-(4-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester Ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-bromophenyl)-1H-pyrazole-3-carboxylate Ethyl 4-(1,3-benzothiazol-2-ylcarbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate Ethyl 4-(1,3-benzothiazole-2-carbonyl)-1-(4-bromophenyl)pyrazole-3-carboxylate
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Formula C20H14BrN3O3S
InChI InChI=1S/C20H14BrN3O3S/c1-2-27-20(26)17-14(11-24(23-17)13-9-7-12(21)8-10-13)18(25)19-22-15-5-3-4-6-16(15)28-19/h3-11H,2H2,1H3
InChIKey SRPGXSXGSRTKJZ-UHFFFAOYSA-N
Molecular Weight 456.314 g/mol
SMILES c1(c(n[n](c1)-c1ccc(cc1)Br)C(=O)OCC)C(c1nc2ccccc2s1)=O
SPLASH splash10-05gi-6956400000-000cbf3d55a5097f2f17
Wiley ID 1452995