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ethyl 6-amino-5-cyano-4-{5-[(4-methoxyphenoxy)methyl]-2-furyl}-2-methyl-4H-pyran-3-carboxylate
SpectraBase Compound ID 4Yq1uKRtbeS
InChI InChI=1S/C22H22N2O6/c1-4-27-22(25)19-13(2)29-21(24)17(11-23)20(19)18-10-9-16(30-18)12-28-15-7-5-14(26-3)6-8-15/h5-10,20H,4,12,24H2,1-3H3
InChIKey DDCPZFTVFQNPDF-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C22H22N2O6
Exact Mass 410.147786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DvY345GSFhB
Name Ethyl 6-amino-5-cyano-4-{5-[(4-methoxyphenoxy)methyl]-2-furyl}-2-methyl-4H-pyran-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.147786430 u
Formula C22H22N2O6
InChI InChI=1S/C22H22N2O6/c1-4-27-22(25)19-13(2)29-21(24)17(11-23)20(19)18-10-9-16(30-18)12-28-15-7-5-14(26-3)6-8-15/h5-10,20H,4,12,24H2,1-3H3
InChIKey DDCPZFTVFQNPDF-UHFFFAOYSA-N
Molecular Weight 410.426 g/mol
SMILES NC=1OC(=C(C(C1C#N)C=1OC(COC2=CC=C(C=C2)OC)=CC1)C(=O)OCC)C