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4-Ethyl 2-methyl 3-methyl-5-{[(2-methylphenoxy)acetyl]amino}-2,4-thiophenedicarboxylate
SpectraBase Compound ID LLELZJF4Otp
InChI InChI=1S/C19H21NO6S/c1-5-25-18(22)15-12(3)16(19(23)24-4)27-17(15)20-14(21)10-26-13-9-7-6-8-11(13)2/h6-9H,5,10H2,1-4H3,(H,20,21)
InChIKey VCVMCJGDGCPYRT-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C19H21NO6S
Exact Mass 391.108959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95KxHraCP7w
Name 4-Ethyl 2-methyl 3-methyl-5-{[(2-methylphenoxy)acetyl]amino}-2,4-thiophenedicarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 391.108958568 u
Formula C19H21NO6S
InChI InChI=1S/C19H21NO6S/c1-5-25-18(22)15-12(3)16(19(23)24-4)27-17(15)20-14(21)10-26-13-9-7-6-8-11(13)2/h6-9H,5,10H2,1-4H3,(H,20,21)
InChIKey VCVMCJGDGCPYRT-UHFFFAOYSA-N
Molecular Weight 391.438 g/mol
SMILES N(C1=C(C(=C(C(=O)OC)S1)C)C(=O)OCC)C(=O)COC=1C(C)=CC=CC1