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Ethyl 2-(3-iodobenzamido)-4-phenyl-3-thiophenecarboxylate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Ethyl 2-(3-iodobenzamido)-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID 4gHHSAISFWE
InChI InChI=1S/C20H16INO3S/c1-2-25-20(24)17-16(13-7-4-3-5-8-13)12-26-19(17)22-18(23)14-9-6-10-15(21)11-14/h3-12H,2H2,1H3,(H,22,23)
InChIKey DCDRNHYULFZCAT-UHFFFAOYSA-N
Mol Weight 477.32 g/mol
Molecular Formula C20H16INO3S
Exact Mass 476.98956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fuz2wkRYBBc
Name Ethyl 2-(3-iodobenzamido)-4-phenyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 476.989559550 u
Formula C20H16INO3S
InChI InChI=1S/C20H16INO3S/c1-2-25-20(24)17-16(13-7-4-3-5-8-13)12-26-19(17)22-18(23)14-9-6-10-15(21)11-14/h3-12H,2H2,1H3,(H,22,23)
InChIKey DCDRNHYULFZCAT-UHFFFAOYSA-N
Molecular Weight 477.316 g/mol
SMILES C1(=C(C(=O)OCC)C(C=2C=CC=CC2)=CS1)NC(C1=CC(I)=CC=C1)=O