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7-Oxo-6-phenyl-1-(p-tolyl)-5-(p-tolyloxy)-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID Ln9tPJsFTMk
InChI InChI=1S/C26H19N5O2/c1-17-8-12-20(13-9-17)31-24-23(22(16-27)29-31)28-26(33-21-14-10-18(2)11-15-21)30(25(24)32)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKey HTXLSEQZKZTEKV-UHFFFAOYSA-N
Mol Weight 433.47 g/mol
Molecular Formula C26H19N5O2
Exact Mass 433.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oN9W6nFhtA
Name 7-Oxo-6-phenyl-1-(p-tolyl)-5-(p-tolyloxy)-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 C26H19N5O2
InChI InChI=1S/C26H19N5O2/c1-17-8-12-20(13-9-17)31-24-23(22(16-27)29-31)28-26(33-21-14-10-18(2)11-15-21)30(25(24)32)19-6-4-3-5-7-19/h3-15H,1-2H3
InChIKey HTXLSEQZKZTEKV-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 433.471 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)Oc1ccc(cc1)C
SPLASH splash10-017i-9203500000-4061f5a61f7f3838d024
Source of Spectrum ARK-2012-300-4a
Wiley ID 1864671