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5-(3,4-Dimethoxyphenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID J3VfU7ZSF64
InChI InChI=1S/C13H12F6N2O2/c1-22-8-4-3-7(5-9(8)23-2)11(13(17,18)19)6-10(20-21-11)12(14,15)16/h3-5,21H,6H2,1-2H3
InChIKey HDGGYYLKYLXBMZ-UHFFFAOYSA-N
Mol Weight 342.24 g/mol
Molecular Formula C13H12F6N2O2
Exact Mass 342.080297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BMwEFtwVl6
Name 5-(3,4-Dimethoxyphenyl)-3,5-bis(trifluoromethyl)-4,5-dihydro-1H-pyrazole
Appearance Oil
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Formula C13H12F6N2O2
InChI InChI=1S/C13H12F6N2O2/c1-22-8-4-3-7(5-9(8)23-2)11(13(17,18)19)6-10(20-21-11)12(14,15)16/h3-5,21H,6H2,1-2H3
InChIKey HDGGYYLKYLXBMZ-UHFFFAOYSA-N
Instrument Name Micromass GCT CA 005 and Micromass LCTTM
Ionization Type EI
Literature Reference DOI 10.1002/cjoc.202000480
Molecular Weight 342.241 g/mol
Reported Formula C13H12F6N2O2
SMILES N1N=C(CC1(c1ccc(c(c1)OC)OC)C(F)(F)F)C(F)(F)F
SPLASH splash10-00di-0192000000-c24bafbf62c648ba85dc
Source of Spectrum CJC-39-SM18-3e
Wiley ID 1856537