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(Ethyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate), N-acetyl

View entire compound with spectra: 1 NMR

(Ethyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate), N-acetyl
SpectraBase Compound ID FkwbREif7An
InChI InChI=1S/C16H16FNO3S/c1-4-21-16(20)14-13(11-5-7-12(17)8-6-11)9(2)22-15(14)18-10(3)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey ZNCBJGMNQRBIOI-UHFFFAOYSA-N
Mol Weight 321.37 g/mol
Molecular Formula C16H16FNO3S
Exact Mass 321.083493 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 488KOhjo0cr
Name (Ethyl 2-amino-4-(4-fluorophenyl)-5-methylthiophene-3-carboxylate), N-acetyl
Comments Computed using HOSE algorithm
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Exact Mass 321.083492713 u
Formula C16H16FNO3S
InChI InChI=1S/C16H16FNO3S/c1-4-21-16(20)14-13(11-5-7-12(17)8-6-11)9(2)22-15(14)18-10(3)19/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey ZNCBJGMNQRBIOI-UHFFFAOYSA-N
Molecular Weight 321.366 g/mol
SMILES CC(=O)NC=1SC(C)=C(C=2C=CC(F)=CC2)C1C(OCC)=O