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7-methyl-1,4-bis(trifluoromethyl)-2,4a-dihydro-7H-cyclohepta[d]pyridazine
SpectraBase Compound ID UkmNycFiTE
InChI InChI=1S/C12H10F6N2/c1-6-2-4-7-8(5-3-6)10(12(16,17)18)20-19-9(7)11(13,14)15/h2-7,20H,1H3
InChIKey LGFBBGJSZNVUTH-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 CSbFwlhyeCR
Name 7-methyl-1,4-bis(trifluoromethyl)-2,4a-dihydro-7H-cyclohepta[d]pyridazine
CAS Registry Number 137233-19-3
Comments Less than 3 mono-isotopic peaks
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Formula C12H10F6N2
InChI InChI=1S/C12H10F6N2/c1-6-2-4-7-8(5-3-6)10(12(16,17)18)20-19-9(7)11(13,14)15/h2-7,20H,1H3
InChIKey LGFBBGJSZNVUTH-UHFFFAOYSA-N
Molecular Weight 296.216 g/mol
SMILES N1C(=C2C(C(=N1)C(F)(F)F)C=CC(C=C2)C)C(F)(F)F
SPLASH splash10-001j-0090000000-34db9a4795b850f3d118
Source of Spectrum K-125-175-11
Synonyms 7-methyl-1,4-bis(trifluoromethyl)-4a,7-dihydro-2H-cyclohepta[d]pyridazine
Wiley ID 1298649