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Ethyl 2-[(cyclopropylcarbonyl)amino]-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID EvgEX6ShSAj
InChI InChI=1S/C19H21NO4S/c1-4-24-19(22)16-15(12-7-9-14(23-3)10-8-12)11(2)25-18(16)20-17(21)13-5-6-13/h7-10,13H,4-6H2,1-3H3,(H,20,21)
InChIKey VBDQRQOOUNHOGM-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C19H21NO4S
Exact Mass 359.119129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vtZMCXRLoe
Name Ethyl 2-[(cyclopropylcarbonyl)amino]-4-(4-methoxyphenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 359.119129330 u
Formula C19H21NO4S
InChI InChI=1S/C19H21NO4S/c1-4-24-19(22)16-15(12-7-9-14(23-3)10-8-12)11(2)25-18(16)20-17(21)13-5-6-13/h7-10,13H,4-6H2,1-3H3,(H,20,21)
InChIKey VBDQRQOOUNHOGM-UHFFFAOYSA-N
Molecular Weight 359.440 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)OC)C(=O)OCC)C(C1CC1)=O