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5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester

View entire compound with spectra: 1 NMR

5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 9NJsLyIr7Kv
InChI InChI=1S/C16H14FNO5S/c1-8-11(15(20)22-2)14(24-12(8)16(21)23-3)18-13(19)9-4-6-10(17)7-5-9/h4-7H,1-3H3,(H,18,19)
InChIKey QKLBUSRPLBLXAK-UHFFFAOYSA-N
Mol Weight 351.35 g/mol
Molecular Formula C16H14FNO5S
Exact Mass 351.057672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ABqq0dc2tAj
Name 5-(4-Fluorobenzoylamino)-3-methylthiophene-2,4-dicarboxylic acid, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 351.057671887 u
Formula C16H14FNO5S
InChI InChI=1S/C16H14FNO5S/c1-8-11(15(20)22-2)14(24-12(8)16(21)23-3)18-13(19)9-4-6-10(17)7-5-9/h4-7H,1-3H3,(H,18,19)
InChIKey QKLBUSRPLBLXAK-UHFFFAOYSA-N
Molecular Weight 351.348 g/mol
SMILES C1(=C(C(C(OC)=O)=C(S1)NC(C1=CC=C(C=C1)F)=O)C)C(OC)=O