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5-(2,4-Dichlorophenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID 1DTNEyqkgUl
InChI InChI=1S/C25H15Cl2N5O2/c1-15-7-10-18(11-8-15)32-23-22(20(14-28)30-32)29-25(34-21-12-9-16(26)13-19(21)27)31(24(23)33)17-5-3-2-4-6-17/h2-13H,1H3
InChIKey KYZFTMUHZSFBMX-UHFFFAOYSA-N
Mol Weight 488.33 g/mol
Molecular Formula C25H15Cl2N5O2
Exact Mass 487.06028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L7nd9hdUMbB
Name 5-(2,4-Dichlorophenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H15Cl2N5O2
InChI InChI=1S/C25H15Cl2N5O2/c1-15-7-10-18(11-8-15)32-23-22(20(14-28)30-32)29-25(34-21-12-9-16(26)13-19(21)27)31(24(23)33)17-5-3-2-4-6-17/h2-13H,1H3
InChIKey KYZFTMUHZSFBMX-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 488.334 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)Oc1ccc(cc1Cl)Cl
SPLASH splash10-0udi-1001900000-004005e8bdbe560bbba6
Source of Spectrum ARK-2012-301-4e
Wiley ID 1864675