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2-[2-(4-Chlorophenoxy)acetylamino]- 4-methylthiazole-5-carboxylic acid, methyl ester
SpectraBase Compound ID H2nbe5DeE1d
InChI InChI=1S/C14H13ClN2O4S/c1-8-12(13(19)20-2)22-14(16-8)17-11(18)7-21-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKey YAJFMITZIVLBSG-UHFFFAOYSA-N
Mol Weight 340.78 g/mol
Molecular Formula C14H13ClN2O4S
Exact Mass 340.028456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iFl6dAs2fz
Name 2-[2-(4-Chlorophenoxy)acetylamino]- 4-methylthiazole-5-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.028455777 u
Formula C14H13ClN2O4S
InChI InChI=1S/C14H13ClN2O4S/c1-8-12(13(19)20-2)22-14(16-8)17-11(18)7-21-10-5-3-9(15)4-6-10/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKey YAJFMITZIVLBSG-UHFFFAOYSA-N
Molecular Weight 340.781 g/mol
SMILES C=1(SC(C(OC)=O)=C(N1)C)NC(COC1=CC=C(C=C1)Cl)=O