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2,7-Dimethyl-3-(1-ethoxycarbonyl-2-oxo-1-propyl)-8-phenylazo-pyrazolo[1,5-a]-pyrimidin-4(3H)-one
SpectraBase Compound ID BNk818qtY1o
InChI InChI=1S/C20H21N5O4/c1-5-29-20(28)16(13(4)26)15-11(2)21-18-17(12(3)24-25(18)19(15)27)23-22-14-9-7-6-8-10-14/h6-10,15-16H,5H2,1-4H3
InChIKey PCVGAMUVDYVXHH-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C20H21N5O4
Exact Mass 395.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rqf26dHVI
Name 2,7-Dimethyl-3-(1-ethoxycarbonyl-2-oxo-1-propyl)-8-phenylazo-pyrazolo[1,5-a]-pyrimidin-4(3H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5O4
InChI InChI=1S/C20H21N5O4/c1-5-29-20(28)16(13(4)26)15-11(2)21-18-17(12(3)24-25(18)19(15)27)23-22-14-9-7-6-8-10-14/h6-10,15-16H,5H2,1-4H3
InChIKey PCVGAMUVDYVXHH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX or GCMS 5988-A HP
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.a16
Molecular Weight 395.419 g/mol
SMILES C1([n]2c(N=C(C1C(C(OCC)=O)C(=O)C)C)c(N=Nc1ccccc1)c(C)n2)=O
SPLASH splash10-0w2i-1902000000-d1a3327d74af592cd965
Source of Spectrum ARK-2009-171-5f
Wiley ID 1869635