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Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate

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Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate
SpectraBase Compound ID JnxvMdaWlY5
InChI InChI=1S/C22H19ClFNO4S/c1-22(2,29-16-10-6-14(23)7-11-16)21(27)25-19-18(20(26)28-3)17(12-30-19)13-4-8-15(24)9-5-13/h4-12H,1-3H3,(H,25,27)
InChIKey YFTRXXPYLHBQLG-UHFFFAOYSA-N
Mol Weight 447.91 g/mol
Molecular Formula C22H19ClFNO4S
Exact Mass 447.070735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiV09gIJ5ft
Name Methyl 2-{[2-(4-chlorophenoxy)-2-methylpropanoyl]amino}-4-(4-fluorophenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 447.070735129 u
Formula C22H19ClFNO4S
InChI InChI=1S/C22H19ClFNO4S/c1-22(2,29-16-10-6-14(23)7-11-16)21(27)25-19-18(20(26)28-3)17(12-30-19)13-4-8-15(24)9-5-13/h4-12H,1-3H3,(H,25,27)
InChIKey YFTRXXPYLHBQLG-UHFFFAOYSA-N
Molecular Weight 447.908 g/mol
SMILES N(C1=C(C(C2=CC=C(C=C2)F)=CS1)C(=O)OC)C(C(OC1=CC=C(C=C1)Cl)(C)C)=O