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ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate

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ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
SpectraBase Compound ID D3NQxwf0LMl
InChI InChI=1S/C21H24N2O7/c1-5-28-17(24)10-16-19(21(25)29-6-2)18(13(11-22)20(23)30-16)12-7-8-14(26-3)15(9-12)27-4/h7-9,18H,5-6,10,23H2,1-4H3
InChIKey QYOCZFSYVSOSDQ-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C21H24N2O7
Exact Mass 416.158351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9tg0E5D67YB
Name Ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.158351114 u
Formula C21H24N2O7
InChI InChI=1S/C21H24N2O7/c1-5-28-17(24)10-16-19(21(25)29-6-2)18(13(11-22)20(23)30-16)12-7-8-14(26-3)15(9-12)27-4/h7-9,18H,5-6,10,23H2,1-4H3
InChIKey QYOCZFSYVSOSDQ-UHFFFAOYSA-N
Molecular Weight 416.430 g/mol
SMILES NC=1OC(=C(C(C1C#N)C1=CC(OC)=C(C=C1)OC)C(=O)OCC)CC(=O)OCC