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N-(4-iodophenyl)-3-oxo-3H-benzo[f]chromene-2-carboxamide

View entire compound with spectra: 2 NMR

N-(4-iodophenyl)-3-oxo-3H-benzo[f]chromene-2-carboxamide
SpectraBase Compound ID 3WiQ5JnUVJl
InChI InChI=1S/C20H12INO3/c21-13-6-8-14(9-7-13)22-19(23)17-11-16-15-4-2-1-3-12(15)5-10-18(16)25-20(17)24/h1-11H,(H,22,23)
InChIKey JZHVWUIANLUNAK-UHFFFAOYSA-N
Mol Weight 441.22 g/mol
Molecular Formula C20H12INO3
Exact Mass 440.986188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID oz6UMnHHwB
Name N-(4-Iodophenyl)-3-oxo-3H-benzo[F]chromene-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 440.986188247 u
Formula C20H12INO3
InChI InChI=1S/C20H12INO3/c21-13-6-8-14(9-7-13)22-19(23)17-11-16-15-4-2-1-3-12(15)5-10-18(16)25-20(17)24/h1-11H,(H,22,23)
InChIKey JZHVWUIANLUNAK-UHFFFAOYSA-N
Molecular Weight 441.224 g/mol
SMILES N(C(C=1C(OC2=C(C1)C1=C(C=C2)C=CC=C1)=O)=O)C=1C=CC(=CC1)I