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1,4-bis(Trifluoromethyl)-2,4,9,10-tetrahydro-5,8 : 11,14-bis(etheno)cyclododeca[d]pyridazine
SpectraBase Compound ID Jj0ubqUaEF8
InChI InChI=1S/C20H14F6N2/c21-19(22,23)17-15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(15)18(28-27-17)20(24,25)26/h3-10,15,28H,1-2H2
InChIKey ATANBYJXJFBUOI-UHFFFAOYSA-N
Mol Weight 396.34 g/mol
Molecular Formula C20H14F6N2
Exact Mass 396.106117 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2cWeIZBnh3
Name 1,4-bis(Trifluoromethyl)-2,4,9,10-tetrahydro-5,8 : 11,14-bis(etheno)cyclododeca[d]pyridazine
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Formula C20H14F6N2
InChI InChI=1S/C20H14F6N2/c21-19(22,23)17-15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(15)18(28-27-17)20(24,25)26/h3-10,15,28H,1-2H2
InChIKey ATANBYJXJFBUOI-UHFFFAOYSA-N
Molecular Weight 396.336 g/mol
SMILES N1C(=C2C(C(=N1)C(F)(F)F)c1ccc(CCc3ccc2cc3)cc1)C(F)(F)F
SPLASH splash10-0002-0009000000-f3a57874ef8b45688ec6
Source of Spectrum U-1997-1478-11
Synonyms 3,6-bis(trifluoromethyl)-4,5-diazatetracyclo[12.2.2.2(8,11).0(2,7)]icosa-1(16),2,5,8,10,14,17,19-octaene
Wiley ID 769981