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5-(3-Chlorophenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID J4yJEKSoXO0
InChI InChI=1S/C11H7ClF6N2/c12-7-3-1-2-6(4-7)9(11(16,17)18)5-8(19-20-9)10(13,14)15/h1-4,20H,5H2
InChIKey VYGDICPMVFFMAN-UHFFFAOYSA-N
Mol Weight 316.63 g/mol
Molecular Formula C11H7ClF6N2
Exact Mass 316.020195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ga5A1FLDppE
Name 5-(3-Chlorophenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Appearance Oil
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Formula C11H7ClF6N2
InChI InChI=1S/C11H7ClF6N2/c12-7-3-1-2-6(4-7)9(11(16,17)18)5-8(19-20-9)10(13,14)15/h1-4,20H,5H2
InChIKey VYGDICPMVFFMAN-UHFFFAOYSA-N
Instrument Name Micromass GCT CA 005 and Micromass LCTTM
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000480
Molecular Weight 316.634 g/mol
Reported Formula C11H7ClF6N2
SMILES N1N=C(CC1(c1cccc(c1)Cl)C(F)(F)F)C(F)(F)F
SPLASH splash10-002b-3390000000-7f25167aad0ada268183
Source of Spectrum CJC-39-SM38-3o
Wiley ID 1856545