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methyl 6-amino-5-cyano-4-{5-[(4-methoxyphenoxy)methyl]-2-furyl}-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID KnV2FlFCWMg
InChI InChI=1S/C21H20N2O6/c1-12-18(21(24)26-3)19(16(10-22)20(23)28-12)17-9-8-15(29-17)11-27-14-6-4-13(25-2)5-7-14/h4-9,19H,11,23H2,1-3H3
InChIKey SFBPGNHOBKHMFB-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C21H20N2O6
Exact Mass 396.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99J7RSw95kZ
Name Methyl 6-amino-5-cyano-4-{5-[(4-methoxyphenoxy)methyl]-2-furyl}-2-methyl-4H-pyran-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 396.132136366 u
Formula C21H20N2O6
InChI InChI=1S/C21H20N2O6/c1-12-18(21(24)26-3)19(16(10-22)20(23)28-12)17-9-8-15(29-17)11-27-14-6-4-13(25-2)5-7-14/h4-9,19H,11,23H2,1-3H3
InChIKey SFBPGNHOBKHMFB-UHFFFAOYSA-N
Molecular Weight 396.399 g/mol
SMILES NC=1OC(=C(C(C1C#N)C=1OC(COC2=CC=C(C=C2)OC)=CC1)C(=O)OC)C