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methyl 3-{[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate

View entire compound with spectra: 2 NMR

methyl 3-{[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate
SpectraBase Compound ID Lr7MnCPymno
InChI InChI=1S/C15H11Cl2NO3S/c1-21-15(20)14-12(6-7-22-14)18-13(19)5-3-9-2-4-10(16)8-11(9)17/h2-8H,1H3,(H,18,19)/b5-3+
InChIKey CZQWRFCCMCNYGC-HWKANZROSA-N
Mol Weight 356.22 g/mol
Molecular Formula C15H11Cl2NO3S
Exact Mass 354.98367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wsHBg56WOr
Name Methyl 3-{[(2E)-3-(2,4-dichlorophenyl)-2-propenoyl]amino}-2-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 354.983669789 u
Formula C15H11Cl2NO3S
InChI InChI=1S/C15H11Cl2NO3S/c1-21-15(20)14-12(6-7-22-14)18-13(19)5-3-9-2-4-10(16)8-11(9)17/h2-8H,1H3,(H,18,19)/b5-3+
InChIKey CZQWRFCCMCNYGC-HWKANZROSA-N
Molecular Weight 356.223 g/mol
SMILES N(C1=C(C(=O)OC)SC=C1)C(\C=C\C1=C(C=C(C=C1)Cl)Cl)=O