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5-(4-Chlorophenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID CGcGZ3H6R7i
InChI InChI=1S/C25H16ClN5O2/c1-16-7-11-19(12-8-16)31-23-22(21(15-27)29-31)28-25(33-20-13-9-17(26)10-14-20)30(24(23)32)18-5-3-2-4-6-18/h2-14H,1H3
InChIKey NKZUMOAAXYOBMX-UHFFFAOYSA-N
Mol Weight 453.89 g/mol
Molecular Formula C25H16ClN5O2
Exact Mass 453.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Etpl6Xw0Xx9
Name 5-(4-Chlorophenoxy)-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 C25H16ClN5O2
InChI InChI=1S/C25H16ClN5O2/c1-16-7-11-19(12-8-16)31-23-22(21(15-27)29-31)28-25(33-20-13-9-17(26)10-14-20)30(24(23)32)18-5-3-2-4-6-18/h2-14H,1H3
InChIKey NKZUMOAAXYOBMX-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 453.889 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)Oc1ccc(cc1)Cl
SPLASH splash10-1004-8349800000-898fafe8b5d0eab62d69
Source of Spectrum ARK-2012-301-4d
Wiley ID 1864674