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8-methoxy-2-oxo-N-(2,4,5-trichlorophenyl)-2H-chromene-3-carboxamide
SpectraBase Compound ID 8GsmQQ4LMmM
InChI InChI=1S/C17H10Cl3NO4/c1-24-14-4-2-3-8-5-9(17(23)25-15(8)14)16(22)21-13-7-11(19)10(18)6-12(13)20/h2-7H,1H3,(H,21,22)
InChIKey HEMRACOVKZSIJS-UHFFFAOYSA-N
Mol Weight 398.63 g/mol
Molecular Formula C17H10Cl3NO4
Exact Mass 396.967541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nRyW13ltfQ
Name 8-Methoxy-2-oxo-N-(2,4,5-trichlorophenyl)-2H-chromene-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 396.967540902 u
Formula C17H10Cl3NO4
InChI InChI=1S/C17H10Cl3NO4/c1-24-14-4-2-3-8-5-9(17(23)25-15(8)14)16(22)21-13-7-11(19)10(18)6-12(13)20/h2-7H,1H3,(H,21,22)
InChIKey HEMRACOVKZSIJS-UHFFFAOYSA-N
Molecular Weight 398.629 g/mol
SMILES N(C1=CC(=C(Cl)C=C1Cl)Cl)C(C=1C(OC=2C(C1)=CC=CC2OC)=O)=O