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2-[3-(3,4-Dichloro-phenyl)-ureido]-4-methyl-thiazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 51ilguL5F7i
InChI InChI=1S/C14H13Cl2N3O3S/c1-3-22-12(20)11-7(2)17-14(23-11)19-13(21)18-8-4-5-9(15)10(16)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,21)
InChIKey UKSZDCABVRPLNQ-UHFFFAOYSA-N
Mol Weight 374.24 g/mol
Molecular Formula C14H13Cl2N3O3S
Exact Mass 373.005468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBoXKeZ3oOa
Name 2-[3-(3,4-Dichloro-phenyl)-ureido]-4-methyl-thiazole-5-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.005467862 u
Formula C14H13Cl2N3O3S
InChI InChI=1S/C14H13Cl2N3O3S/c1-3-22-12(20)11-7(2)17-14(23-11)19-13(21)18-8-4-5-9(15)10(16)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,21)
InChIKey UKSZDCABVRPLNQ-UHFFFAOYSA-N
Molecular Weight 374.242 g/mol
SMILES C=1(SC(NC(NC=2C=CC(Cl)=C(C2)Cl)=O)=NC1C)C(=O)OCC