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3-Methyl-1,4-diphenyl-5-(trifluoromethyl)-1H-pyrazole
SpectraBase Compound ID 2XWn8IJKJzD
InChI InChI=1S/C17H13F3N2/c1-12-15(13-8-4-2-5-9-13)16(17(18,19)20)22(21-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey QQOSKGVBKKEHMA-UHFFFAOYSA-N
Mol Weight 302.3 g/mol
Molecular Formula C17H13F3N2
Exact Mass 302.103083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEsqkiHRyRo
Name 3-Methyl-1,4-diphenyl-5-(trifluoromethyl)-1H-pyrazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13F3N2
InChI InChI=1S/C17H13F3N2/c1-12-15(13-8-4-2-5-9-13)16(17(18,19)20)22(21-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey QQOSKGVBKKEHMA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5OB02390D
Molecular Weight 302.300 g/mol
SMILES c1(-[n]2c(C(F)(F)F)c(-c3ccccc3)c(C)n2)ccccc1
SPLASH splash10-0udi-1009000000-6c266ba1b95ea7342e8a
Source of Spectrum F5-14-2356-3a
Wiley ID 1804745