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3-Thiophenecarboxylic acid, 2-[[2-[[(4-chlorophenyl)methyl]amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester
SpectraBase Compound ID HEHDHQO4jIt
InChI InChI=1S/C17H17ClN2O4S/c1-9-10(2)25-16(13(9)17(23)24-3)20-15(22)14(21)19-8-11-4-6-12(18)7-5-11/h4-7H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKey MBFQNOTWPSRMNS-UHFFFAOYSA-N
Mol Weight 380.85 g/mol
Molecular Formula C17H17ClN2O4S
Exact Mass 380.059756 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4ulLVMhhmn
Name 3-Thiophenecarboxylic acid, 2-[[2-[[(4-chlorophenyl)methyl]amino]-1,2-dioxoethyl]amino]-4,5-dimethyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.059755905 u
Formula C17H17ClN2O4S
InChI InChI=1S/C17H17ClN2O4S/c1-9-10(2)25-16(13(9)17(23)24-3)20-15(22)14(21)19-8-11-4-6-12(18)7-5-11/h4-7H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKey MBFQNOTWPSRMNS-UHFFFAOYSA-N
Molecular Weight 380.846 g/mol
SMILES N(C1=C(C(C)=C(S1)C)C(=O)OC)C(C(NCC1=CC=C(C=C1)Cl)=O)=O