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5-Thiazolecarboxylic acid, 2-[(2-chlorobenzoyl)amino]-4-methyl-, methyl ester

View entire compound with spectra: 2 NMR

5-Thiazolecarboxylic acid, 2-[(2-chlorobenzoyl)amino]-4-methyl-, methyl ester
SpectraBase Compound ID IIHc46LBPhE
InChI InChI=1S/C13H11ClN2O3S/c1-7-10(12(18)19-2)20-13(15-7)16-11(17)8-5-3-4-6-9(8)14/h3-6H,1-2H3,(H,15,16,17)
InChIKey BRBMIDHRBUCQQX-UHFFFAOYSA-N
Mol Weight 310.76 g/mol
Molecular Formula C13H11ClN2O3S
Exact Mass 310.017891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hr6PhUfFtp
Name 5-Thiazolecarboxylic acid, 2-[(2-chlorobenzoyl)amino]-4-methyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 310.017891093 u
Formula C13H11ClN2O3S
InChI InChI=1S/C13H11ClN2O3S/c1-7-10(12(18)19-2)20-13(15-7)16-11(17)8-5-3-4-6-9(8)14/h3-6H,1-2H3,(H,15,16,17)
InChIKey BRBMIDHRBUCQQX-UHFFFAOYSA-N
Molecular Weight 310.755 g/mol
SMILES N(C=1SC(=C(N1)C)C(=O)OC)C(C=1C(Cl)=CC=CC1)=O