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1-(7-Chloroquinolin-4-yl)-5-(2-hydroxy-2,4-dimethylphenyl)-1H-pyrazole
SpectraBase Compound ID 7YQfsBfpGTL
InChI InChI=1S/C20H16ClN3O/c1-12-9-13(2)20(25)16(10-12)19-6-8-23-24(19)18-5-7-22-17-11-14(21)3-4-15(17)18/h3-11,25H,1-2H3
InChIKey VRXQLEXRRVWBHB-UHFFFAOYSA-N
Mol Weight 349.82 g/mol
Molecular Formula C20H16ClN3O
Exact Mass 349.09819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GftejXdj8n7
Name 1-(7-Chloroquinolin-4-yl)-5-(2-hydroxy-2,4-dimethylphenyl)-1H-pyrazole
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3O
InChI InChI=1S/C20H16ClN3O/c1-12-9-13(2)20(25)16(10-12)19-6-8-23-24(19)18-5-7-22-17-11-14(21)3-4-15(17)18/h3-11,25H,1-2H3
InChIKey VRXQLEXRRVWBHB-UHFFFAOYSA-N
Instrument Name Shimadzu 2010
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3975
Molecular Weight 349.821 g/mol
SMILES Oc1c(cc(cc1C)C)-c1ccn[n]1-c1ccnc2c1ccc(c2)Cl
SPLASH splash10-05fr-2905000000-bf117d9e33769ff2a7bf
Source of Spectrum Y-57-2583-18
Wiley ID 1860201