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5-(4-Chlorophenoxy)-6-(4-fluorophenyl)-7-oxo-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID 40iGzXOUmnf
InChI InChI=1S/C25H15ClFN5O2/c1-15-2-8-19(9-3-15)32-23-22(21(14-28)30-32)29-25(34-20-12-4-16(26)5-13-20)31(24(23)33)18-10-6-17(27)7-11-18/h2-13H,1H3
InChIKey YJHQFTNIVHYBOJ-UHFFFAOYSA-N
Mol Weight 471.88 g/mol
Molecular Formula C25H15ClFN5O2
Exact Mass 471.089831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrhNIDNKHLt
Name 5-(4-Chlorophenoxy)-6-(4-fluorophenyl)-7-oxo-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15ClFN5O2
InChI InChI=1S/C25H15ClFN5O2/c1-15-2-8-19(9-3-15)32-23-22(21(14-28)30-32)29-25(34-20-12-4-16(26)5-13-20)31(24(23)33)18-10-6-17(27)7-11-18/h2-13H,1H3
InChIKey YJHQFTNIVHYBOJ-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 471.879 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccc(cc1)F)Oc1ccc(cc1)Cl
SPLASH splash10-052g-9056400000-51f5de89bc3519138a93
Source of Spectrum ARK-2012-302-4k
Wiley ID 1864681