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Methyl 3-({5-[(4-iodophenoxy)methyl]-2-furoyl}amino)-2-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 3-({5-[(4-iodophenoxy)methyl]-2-furoyl}amino)-2-thiophenecarboxylate
SpectraBase Compound ID FRfSS9TzIZ
InChI InChI=1S/C18H14INO5S/c1-23-18(22)16-14(8-9-26-16)20-17(21)15-7-6-13(25-15)10-24-12-4-2-11(19)3-5-12/h2-9H,10H2,1H3,(H,20,21)
InChIKey ITOCUGIWVYYFMO-UHFFFAOYSA-N
Mol Weight 483.28 g/mol
Molecular Formula C18H14INO5S
Exact Mass 482.963739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cbbj8hUrw6G
Name Methyl 3-({5-[(4-iodophenoxy)methyl]-2-furoyl}amino)-2-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 482.963738724 u
Formula C18H14INO5S
InChI InChI=1S/C18H14INO5S/c1-23-18(22)16-14(8-9-26-16)20-17(21)15-7-6-13(25-15)10-24-12-4-2-11(19)3-5-12/h2-9H,10H2,1H3,(H,20,21)
InChIKey ITOCUGIWVYYFMO-UHFFFAOYSA-N
Molecular Weight 483.276 g/mol
SMILES N(C1=C(C(=O)OC)SC=C1)C(C=1OC(COC=2C=CC(=CC2)I)=CC1)=O