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4-((3-(trifluoromethyl)phenyl)selanyl)-1,3-diphenyl-1H-pyrazol-5-amine
SpectraBase Compound ID 8xpO0wbbX39
InChI InChI=1S/C22H16F3N3Se/c23-22(24,25)16-10-7-13-18(14-16)29-20-19(15-8-3-1-4-9-15)27-28(21(20)26)17-11-5-2-6-12-17/h1-14H,26H2
InChIKey REDMOJUXTALCKC-UHFFFAOYSA-N
Mol Weight 458.36 g/mol
Molecular Formula C22H16F3N3Se
Exact Mass 459.046154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CZXFeG33Q5
Name 4-((3-(trifluoromethyl)phenyl)selanyl)-1,3-diphenyl-1H-pyrazol-5-amine
Appearance Reddish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16F3N3Se
InChI InChI=1S/C22H16F3N3Se/c23-22(24,25)16-10-7-13-18(14-16)29-20-19(15-8-3-1-4-9-15)27-28(21(20)26)17-11-5-2-6-12-17/h1-14H,26H2
InChIKey REDMOJUXTALCKC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.256
Molecular Weight 458.358 g/mol
SMILES Nc1[n](nc(-c2ccccc2)c1[Se]c1cc(ccc1)C(F)(F)F)-c1ccccc1
SPLASH splash10-056r-4449500000-666bd845975ecfaaf1d8
Source of Spectrum BJO-14-SM7-4o
Wiley ID 1845757