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5-(4-(tert-Butyl)phenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 8isEIZ2iQJx
InChI InChI=1S/C15H16F6N2/c1-12(2,3)9-4-6-10(7-5-9)13(15(19,20)21)8-11(22-23-13)14(16,17)18/h4-7,23H,8H2,1-3H3
InChIKey YQUSKLUQAKIMOF-UHFFFAOYSA-N
Mol Weight 338.3 g/mol
Molecular Formula C15H16F6N2
Exact Mass 338.121768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtkgcLHLQxi
Name 5-(4-(tert-Butyl)phenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Appearance Oil
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Formula C15H16F6N2
InChI InChI=1S/C15H16F6N2/c1-12(2,3)9-4-6-10(7-5-9)13(15(19,20)21)8-11(22-23-13)14(16,17)18/h4-7,23H,8H2,1-3H3
InChIKey YQUSKLUQAKIMOF-UHFFFAOYSA-N
Instrument Name Micromass GCT CA 005 and Micromass LCTTM
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000480
Molecular Weight 338.297 g/mol
Reported Formula C15H16F6N2
SMILES N1N=C(CC1(c1ccc(cc1)C(C)(C)C)C(F)(F)F)C(F)(F)F
SPLASH splash10-02t9-1293000000-445c417f3855e897fc2b
Source of Spectrum CJC-39-SM24-3h
Wiley ID 1856539