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2-[1-Cyano-2-(2-oxo-2-phenylethylthio)-2-(phenylamino)vinyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SpectraBase Compound ID Fc6tVe51SQ9
InChI InChI=1S/C26H20N6OS/c1-17-13-18(2)32-25(29-17)21(14-27)24(31-32)22(15-28)26(30-20-11-7-4-8-12-20)34-16-23(33)19-9-5-3-6-10-19/h3-13,30H,16H2,1-2H3
InChIKey BOLJEYIOZNEWTF-UHFFFAOYSA-N
Mol Weight 464.55 g/mol
Molecular Formula C26H20N6OS
Exact Mass 464.14193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk9PCFiz8CU
Name 2-[1-Cyano-2-(2-oxo-2-phenylethylthio)-2-(phenylamino)vinyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
Appearance Whitish brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N6OS
InChI InChI=1S/C26H20N6OS/c1-17-13-18(2)32-25(29-17)21(14-27)24(31-32)22(15-28)26(30-20-11-7-4-8-12-20)34-16-23(33)19-9-5-3-6-10-19/h3-13,30H,16H2,1-2H3
InChIKey BOLJEYIOZNEWTF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-GB 1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2590
Molecular Weight 464.547 g/mol
SMILES N(C(=C(C#N)c1n[n]2c(N=C(C=C2C)C)c1C#N)SCC(c1ccccc1)=O)c1ccccc1
SPLASH splash10-03fr-8500900000-f61618d5394c54821f15
Source of Spectrum Y-54-351-6a
Wiley ID 1877856