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5-Ethoxy-7-oxo-6-phenyl-1-p-tolyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carbonitrile
SpectraBase Compound ID C8YaU9ODEcT
InChI InChI=1S/C21H17N5O2/c1-3-28-21-23-18-17(13-22)24-26(16-11-9-14(2)10-12-16)19(18)20(27)25(21)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKey OZHJQVWIEMXZHL-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C21H17N5O2
Exact Mass 371.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2Rwri8qbdF
Name 5-Ethoxy-7-oxo-6-phenyl-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 C21H17N5O2
InChI InChI=1S/C21H17N5O2/c1-3-28-21-23-18-17(13-22)24-26(16-11-9-14(2)10-12-16)19(18)20(27)25(21)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3
InChIKey OZHJQVWIEMXZHL-UHFFFAOYSA-N
Instrument Name Finnigan trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0013.627
Molecular Weight 371.400 g/mol
SMILES C=1(N(C(c2c(N1)c(n[n]2-c1ccc(cc1)C)C#N)=O)c1ccccc1)OCC
SPLASH splash10-0a4i-3209000000-14bad0cc12440695951c
Source of Spectrum ARK-2012-302-4m
Wiley ID 1864683