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3,4-Bis(4-chlorophenyl)-5-methyl-1H-pyrazole
SpectraBase Compound ID Ff4HP8YRc5n
InChI InChI=1S/C16H12Cl2N2/c1-10-15(11-2-6-13(17)7-3-11)16(20-19-10)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20)
InChIKey DCVZTPAPZVRYIX-UHFFFAOYSA-N
Mol Weight 303.19 g/mol
Molecular Formula C16H12Cl2N2
Exact Mass 302.037754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXS7KJ9tvGU
Name 3,4-Bis(4-chlorophenyl)-5-methyl-1H-pyrazole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12Cl2N2
InChI InChI=1S/C16H12Cl2N2/c1-10-15(11-2-6-13(17)7-3-11)16(20-19-10)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20)
InChIKey DCVZTPAPZVRYIX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000066
Molecular Weight 303.192 g/mol
SMILES [nH]1c(c(c(n1)-c1ccc(cc1)Cl)-c1ccc(cc1)Cl)C
SPLASH splash10-0udi-0029000000-eedcc4a91b13ad065ce5
Source of Spectrum U1-2020-SM28-5c
Thin-Layer Chromatography Rf = 0.13 (n-hexane/ethyl acetate, 3:1)
Wiley ID 1860464