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Ethyl 4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
SpectraBase Compound ID 3CKRkjGgArg
InChI InChI=1S/C18H15ClN6O2/c1-3-27-17(26)16-15(14-8-9-20-18-21-10-22-25(14)18)11(2)24(23-16)13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3
InChIKey ATLOSNBIWYLTDG-UHFFFAOYSA-N
Mol Weight 382.81 g/mol
Molecular Formula C18H15ClN6O2
Exact Mass 382.094501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 74FjdPcXNcU
Name Ethyl 4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(4-chlorophenyl)-5-methyl-1H-pyrazole-3-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15ClN6O2
InChI InChI=1S/C18H15ClN6O2/c1-3-27-17(26)16-15(14-8-9-20-18-21-10-22-25(14)18)11(2)24(23-16)13-6-4-12(19)5-7-13/h4-10H,3H2,1-2H3
InChIKey ATLOSNBIWYLTDG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3638
Molecular Weight 382.811 g/mol
SMILES C1=Nc2[n](C(=C1)c1c([n](nc1C(OCC)=O)-c1ccc(cc1)Cl)C)ncn2
SPLASH splash10-0il0-3905000000-8ee7e8a9e4b4a3be1990
Source of Spectrum Y-56-2491-8d
Wiley ID 1859636