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Diethyl 3-Cyano-2-oxo-6-(4-N,N-dimethylaminophenyl)-2H-pyran-4-ylmalonate
SpectraBase Compound ID 3jZHqBu5G1z
InChI InChI=1S/C21H22N2O6/c1-5-27-20(25)18(21(26)28-6-2)15-11-17(29-19(24)16(15)12-22)13-7-9-14(10-8-13)23(3)4/h7-11,18H,5-6H2,1-4H3
InChIKey HYVMXDFTWQXJBN-UHFFFAOYSA-N
Mol Weight 398.42 g/mol
Molecular Formula C21H22N2O6
Exact Mass 398.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K12OTUVmeEm
Name Diethyl 3-Cyano-2-oxo-6-(4-N,N-dimethylaminophenyl)-2H-pyran-4-ylmalonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O6
InChI InChI=1S/C21H22N2O6/c1-5-27-20(25)18(21(26)28-6-2)15-11-17(29-19(24)16(15)12-22)13-7-9-14(10-8-13)23(3)4/h7-11,18H,5-6H2,1-4H3
InChIKey HYVMXDFTWQXJBN-UHFFFAOYSA-N
Molecular Weight 398.415 g/mol
SMILES C1(=C(C(=O)OC(=C1)c1ccc(cc1)N(C)C)C#N)C(C(=O)OCC)C(=O)OCC
SPLASH splash10-0005-8192000000-e945ae1b284aecc57014
Source of Spectrum Y-45-272-7f
Synonyms 2-[3-cyano-6-[4-(dimethylamino)phenyl]-2-oxo-4-pyranyl]propanedioic acid diethyl ester Diethyl 2-[3-cyano-6-[4-(dimethylamino)phenyl]-2-oxopyran-4-yl]propanedioate Diethyl 2-[3-cyano-6-[4-(dimethylamino)phenyl]-2-oxo-pyran-4-yl]propanedioate Diethyl 2-[3-cyano-6-[4-(dimethylamino)phenyl]-2-oxidanylidene-pyran-4-yl]propanedioate
Wiley ID 1666221