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Ethyl 1-(4-chlorophenyl)-5-methyl-4-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-3-carboxylate
SpectraBase Compound ID AYEJ3Lna9Vs
InChI InChI=1S/C25H20ClN5O2/c1-3-33-25(32)24-23(16(2)30(29-24)19-11-9-18(26)10-12-19)21-13-14-27-22-15-20(28-31(21)22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
InChIKey BWRMAYMTZTXAPM-UHFFFAOYSA-N
Mol Weight 457.92 g/mol
Molecular Formula C25H20ClN5O2
Exact Mass 457.130553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95pk2q8hbIu
Name Ethyl 1-(4-chlorophenyl)-5-methyl-4-(2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1H-pyrazole-3-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClN5O2
InChI InChI=1S/C25H20ClN5O2/c1-3-33-25(32)24-23(16(2)30(29-24)19-11-9-18(26)10-12-19)21-13-14-27-22-15-20(28-31(21)22)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3
InChIKey BWRMAYMTZTXAPM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3638
Molecular Weight 457.921 g/mol
SMILES C1=Nc2[n](C(=C1)c1c([n](nc1C(OCC)=O)-c1ccc(cc1)Cl)C)nc(c2)-c1ccccc1
SPLASH splash10-03gi-9636300000-13395641f9c28c2944aa
Source of Spectrum Y-56-2492-10d
Wiley ID 1859632