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{3-Cyano-6-[4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-4-phenylpyridin-2(1H)ylidene}malononitrile
SpectraBase Compound ID IF6a66wseOP
InChI InChI=1S/C26H18N6OS/c1-15-23(25(32-26(34)30-15)17-8-5-9-19(33)10-17)22-11-20(16-6-3-2-4-7-16)21(14-29)24(31-22)18(12-27)13-28/h2-11,25,31,33H,1H3,(H2,30,32,34)
InChIKey PVHBIOSCXBGQIT-UHFFFAOYSA-N
Mol Weight 462.53 g/mol
Molecular Formula C26H18N6OS
Exact Mass 462.12628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaPYfu5X7pj
Name {3-Cyano-6-[4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-4-phenylpyridin-2(1H)ylidene}malononitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H18N6OS
InChI InChI=1S/C26H18N6OS/c1-15-23(25(32-26(34)30-15)17-8-5-9-19(33)10-17)22-11-20(16-6-3-2-4-7-16)21(14-29)24(31-22)18(12-27)13-28/h2-11,25,31,33H,1H3,(H2,30,32,34)
InChIKey PVHBIOSCXBGQIT-UHFFFAOYSA-N
Instrument Name Shimadzu GC-2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4350
Molecular Weight 462.531 g/mol
SMILES N1C(C=2C(c3cccc(c3)O)NC(NC2C)=S)=CC(=C(C1=C(C#N)C#N)C#N)c1ccccc1
SPLASH splash10-0a4i-9100000000-5c9025e4ad1701454355
Source of Spectrum Y-58-2267-5
Wiley ID 1879344