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1-Benzyl-4-chloro-3,5-diphenyl-1H-pyrazole
SpectraBase Compound ID BKrY9oldGOb
InChI InChI=1S/C22H17ClN2/c23-20-21(18-12-6-2-7-13-18)24-25(16-17-10-4-1-5-11-17)22(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey WVFFGADLWKGAOF-UHFFFAOYSA-N
Mol Weight 344.85 g/mol
Molecular Formula C22H17ClN2
Exact Mass 344.108026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVpksMqpEb6
Name 1-Benzyl-4-chloro-3,5-diphenyl-1H-pyrazole
Appearance White amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClN2
InChI InChI=1S/C22H17ClN2/c23-20-21(18-12-6-2-7-13-18)24-25(16-17-10-4-1-5-11-17)22(20)19-14-8-3-9-15-19/h1-15H,16H2
InChIKey WVFFGADLWKGAOF-UHFFFAOYSA-N
Instrument Name Finnigan MAT SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.0c02106
Molecular Weight 344.845 g/mol
SMILES c1(ccccc1)C[n]1nc(c(c1-c1ccccc1)Cl)-c1ccccc1
SPLASH splash10-0006-5129000000-3c86888ebd9ff36960b9
Source of Spectrum JOC-86-329-22c
Wiley ID 1867686