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5-(p-Tolyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 6QamXobw43Q
InChI InChI=1S/C12H10F6N2/c1-7-2-4-8(5-3-7)10(12(16,17)18)6-9(19-20-10)11(13,14)15/h2-5,20H,6H2,1H3
InChIKey IGTFWLNSDPWPBJ-UHFFFAOYSA-N
Mol Weight 296.22 g/mol
Molecular Formula C12H10F6N2
Exact Mass 296.074817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hn3Zc9eFEW3
Name 5-(p-Tolyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Appearance Oil
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Formula C12H10F6N2
InChI InChI=1S/C12H10F6N2/c1-7-2-4-8(5-3-7)10(12(16,17)18)6-9(19-20-10)11(13,14)15/h2-5,20H,6H2,1H3
InChIKey IGTFWLNSDPWPBJ-UHFFFAOYSA-N
Instrument Name Micromass GCT CA 005 and Micromass LCTTM
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000480
Molecular Weight 296.216 g/mol
Reported Formula C12H10F6N2
SMILES N1N=C(CC1(c1ccc(cc1)C)C(F)(F)F)C(F)(F)F
SPLASH splash10-00kb-2980000000-932007a45c46b6666046
Source of Spectrum CJC-39-SM22-3g
Wiley ID 1856538