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Methyl 2-[(cyclopropylcarbonyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 2-[(cyclopropylcarbonyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID EVS7KbeiaDf
InChI InChI=1S/C17H16FNO3S/c1-9-13(10-5-7-12(18)8-6-10)14(17(21)22-2)16(23-9)19-15(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,19,20)
InChIKey QPNKFOFVBLSIBU-UHFFFAOYSA-N
Mol Weight 333.38 g/mol
Molecular Formula C17H16FNO3S
Exact Mass 333.083493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1NJtMOV1ifq
Name Methyl 2-[(cyclopropylcarbonyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 333.083492713 u
Formula C17H16FNO3S
InChI InChI=1S/C17H16FNO3S/c1-9-13(10-5-7-12(18)8-6-10)14(17(21)22-2)16(23-9)19-15(20)11-3-4-11/h5-8,11H,3-4H2,1-2H3,(H,19,20)
InChIKey QPNKFOFVBLSIBU-UHFFFAOYSA-N
Molecular Weight 333.377 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)F)C(=O)OC)C(C1CC1)=O