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Ethyl 4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID CsBg48EjnzE
InChI InChI=1S/C18H16N6O2/c1-3-26-17(25)16-15(14-9-10-19-18-20-11-21-24(14)18)12(2)23(22-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKey MBTHVVFCARHCCK-UHFFFAOYSA-N
Mol Weight 348.37 g/mol
Molecular Formula C18H16N6O2
Exact Mass 348.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R8f0YwrccM
Name Ethyl 4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-methyl-1-phenyl-1H-pyrazole-3-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N6O2
InChI InChI=1S/C18H16N6O2/c1-3-26-17(25)16-15(14-9-10-19-18-20-11-21-24(14)18)12(2)23(22-16)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChIKey MBTHVVFCARHCCK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3638
Molecular Weight 348.366 g/mol
SMILES c12ncn[n]2C(c2c(C(=O)OCC)n[n](-c3ccccc3)c2C)=CC=N1
SPLASH splash10-0fbc-9422000000-7b609b0573b60852a02c
Source of Spectrum Y-56-2491-8c
Wiley ID 1859635