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Methyl 2-{[(2,4-difluorophenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 134Up24ODHQ
InChI InChI=1S/C16H15F2NO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(17)6-11(12)18/h4-6H,7H2,1-3H3,(H,19,20)
InChIKey BJCPRBSSKMGUEX-UHFFFAOYSA-N
Mol Weight 355.36 g/mol
Molecular Formula C16H15F2NO4S
Exact Mass 355.068985 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fr48AisQDLT
Name Methyl 2-{[(2,4-difluorophenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 355.068985463 u
Formula C16H15F2NO4S
InChI InChI=1S/C16H15F2NO4S/c1-8-9(2)24-15(14(8)16(21)22-3)19-13(20)7-23-12-5-4-10(17)6-11(12)18/h4-6H,7H2,1-3H3,(H,19,20)
InChIKey BJCPRBSSKMGUEX-UHFFFAOYSA-N
Molecular Weight 355.356 g/mol
SMILES N(C1=C(C(C)=C(S1)C)C(=O)OC)C(=O)COC1=C(C=C(C=C1)F)F