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Ethyl ({5-[5-cyano-6-(dicyanomethylene)-4-phenyl-1,6-dihydropyridin-2-yl]-6-(3-hydroxy-phenyl)-4-methyl-1,6-dihydropyrimidin-2-yl}thio)acetate

View entire compound with spectra: 1 MS (GC)

Ethyl ({5-[5-cyano-6-(dicyanomethylene)-4-phenyl-1,6-dihydropyridin-2-yl]-6-(3-hydroxy-phenyl)-4-methyl-1,6-dihydropyrimidin-2-yl}thio)acetate
SpectraBase Compound ID LfKy692u8dr
InChI InChI=1S/C30H24N6O3S/c1-3-39-26(38)17-40-30-34-18(2)27(29(36-30)20-10-7-11-22(37)12-20)25-13-23(19-8-5-4-6-9-19)24(16-33)28(35-25)21(14-31)15-32/h4-13,29,35,37H,3,17H2,1-2H3,(H,34,36)
InChIKey QSRYPHFCADFOQR-UHFFFAOYSA-N
Mol Weight 548.62 g/mol
Molecular Formula C30H24N6O3S
Exact Mass 548.16306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61gWylFwBGY
Name Ethyl ({5-[5-cyano-6-(dicyanomethylene)-4-phenyl-1,6-dihydropyridin-2-yl]-6-(3-hydroxy-phenyl)-4-methyl-1,6-dihydropyrimidin-2-yl}thio)acetate
Appearance Brown powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24N6O3S
InChI InChI=1S/C30H24N6O3S/c1-3-39-26(38)17-40-30-34-18(2)27(29(36-30)20-10-7-11-22(37)12-20)25-13-23(19-8-5-4-6-9-19)24(16-33)28(35-25)21(14-31)15-32/h4-13,29,35,37H,3,17H2,1-2H3,(H,34,36)
InChIKey QSRYPHFCADFOQR-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4350
Molecular Weight 548.621 g/mol
SMILES N1C(C=2C(c3cccc(c3)O)NC(=NC2C)SCC(OCC)=O)=CC(=C(C1=C(C#N)C#N)C#N)c1ccccc1
SPLASH splash10-0a4i-9200000000-ce6b427013ded84d8234
Source of Spectrum Y-58-2267-6
Wiley ID 1879345