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4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
SpectraBase Compound ID DfmhvQpkeLt
InChI InChI=1S/C22H13Cl2NO6/c1-28-18-4-2-3-12-9-16(22(27)31-19(12)18)21(26)30-15-7-5-14(6-8-15)29-20-17(24)10-13(23)11-25-20/h2-11H,1H3
InChIKey VKXINOJAQZSAPX-UHFFFAOYSA-N
Mol Weight 458.25 g/mol
Molecular Formula C22H13Cl2NO6
Exact Mass 457.011993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IseZxVc3cn
Name 4-[(3,5-Dichloro-2-pyridinyl)oxy]phenyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 457.011992537 u
Formula C22H13Cl2NO6
InChI InChI=1S/C22H13Cl2NO6/c1-28-18-4-2-3-12-9-16(22(27)31-19(12)18)21(26)30-15-7-5-14(6-8-15)29-20-17(24)10-13(23)11-25-20/h2-11H,1H3
InChIKey VKXINOJAQZSAPX-UHFFFAOYSA-N
Molecular Weight 458.253 g/mol
SMILES C=1(C(OC2=C(C1)C=CC=C2OC)=O)C(OC=1C=CC(OC=2N=CC(=CC2Cl)Cl)=CC1)=O