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2-{3-Cyano-6-[(E)-2-(4-dimethylamino-phenyl)-vinyl]-2-oxo-2H-pyran-4-yl}-malonic acid dimethyl ester
SpectraBase Compound ID EcB3DGAM3f6
InChI InChI=1S/C21H20N2O6/c1-23(2)14-8-5-13(6-9-14)7-10-15-11-16(17(12-22)19(24)29-15)18(20(25)27-3)21(26)28-4/h5-11,18H,1-4H3/b10-7+
InChIKey NPHMYKAPJVOOLD-JXMROGBWSA-N
Mol Weight 396.4 g/mol
Molecular Formula C21H20N2O6
Exact Mass 396.132136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJTp7peCWDu
Name 2-{3-Cyano-6-[(E)-2-(4-dimethylamino-phenyl)-vinyl]-2-oxo-2H-pyran-4-yl}-malonic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O6
InChI InChI=1S/C21H20N2O6/c1-23(2)14-8-5-13(6-9-14)7-10-15-11-16(17(12-22)19(24)29-15)18(20(25)27-3)21(26)28-4/h5-11,18H,1-4H3/b10-7+
InChIKey NPHMYKAPJVOOLD-JXMROGBWSA-N
Molecular Weight 396.399 g/mol
SMILES C1(=C(C(C(=O)OC)C(=O)OC)C=C(OC1=O)\C=C\c1ccc(cc1)N(C)C)C#N
SPLASH splash10-0007-8009000000-94135867e27cb832a119
Source of Spectrum Y-45-272-7h
Synonyms Dimethyl 3-Cyano-6-(4-N,N-dimethylamino)styryl-2-oxo-2H-pyran-4-ylmalonate
Wiley ID 1666219