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5-(4-Methoxyphenoxy)-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID FIO8a9SmtZg
InChI InChI=1S/C26H19N5O3/c1-17-8-10-19(11-9-17)31-24-23(22(16-27)29-31)28-26(34-21-14-12-20(33-2)13-15-21)30(25(24)32)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKey XWQREPQIANMRLX-UHFFFAOYSA-N
Mol Weight 449.47 g/mol
Molecular Formula C26H19N5O3
Exact Mass 449.148789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQudjlzieM9
Name 5-(4-Methoxyphenoxy)-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 C26H19N5O3
InChI InChI=1S/C26H19N5O3/c1-17-8-10-19(11-9-17)31-24-23(22(16-27)29-31)28-26(34-21-14-12-20(33-2)13-15-21)30(25(24)32)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKey XWQREPQIANMRLX-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 449.470 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)Oc1ccc(cc1)OC
SPLASH splash10-005d-9204400000-33c03aea6fc451bb43c7
Source of Spectrum ARK-2012-300-4c
Wiley ID 1864673