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N-(4-chlorobenzyl)-5-[(4-iodophenoxy)methyl]-2-furamide
SpectraBase Compound ID J59CC49jJdq
InChI InChI=1S/C19H15ClINO3/c20-14-3-1-13(2-4-14)11-22-19(23)18-10-9-17(25-18)12-24-16-7-5-15(21)6-8-16/h1-10H,11-12H2,(H,22,23)
InChIKey PMQCZLUQDACMDO-UHFFFAOYSA-N
Mol Weight 467.69 g/mol
Molecular Formula C19H15ClINO3
Exact Mass 466.978516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4StO9V2VsTV
Name N-(4-Chlorobenzyl)-5-[(4-iodophenoxy)methyl]-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 466.978516044 u
Formula C19H15ClINO3
InChI InChI=1S/C19H15ClINO3/c20-14-3-1-13(2-4-14)11-22-19(23)18-10-9-17(25-18)12-24-16-7-5-15(21)6-8-16/h1-10H,11-12H2,(H,22,23)
InChIKey PMQCZLUQDACMDO-UHFFFAOYSA-N
Molecular Weight 467.690 g/mol
SMILES N(CC1=CC=C(C=C1)Cl)C(C=1OC(COC=2C=CC(=CC2)I)=CC1)=O