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3,6-bis(Trifluoromethyl)-4,5-diazapentacyclo[6.6.2.1(2,7).0(2,7).0(9,14)]heptadeca-3,5,9(14),10,12,15-hexaene
SpectraBase Compound ID eYY2Er3o15
InChI InChI=1S/C17H10F6N2/c18-16(19,20)12-14-7-15(14,13(25-24-12)17(21,22)23)11-6-5-10(14)8-3-1-2-4-9(8)11/h1-6,10-11H,7H2/t10-,11+,14-,15+
InChIKey OYISDMMQEXCKSZ-HGSJOUDDSA-N
Mol Weight 356.27 g/mol
Molecular Formula C17H10F6N2
Exact Mass 356.074817 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HlcI0iy7FwL
Name 3,6-bis(Trifluoromethyl)-4,5-diazapentacyclo[6.6.2.1(2,7).0(2,7).0(9,14)]heptadeca-3,5,9(14),10,12,15-hexaene
Comments Less than 3 mono-isotopic peaks
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Formula C17H10F6N2
InChI InChI=1S/C17H10F6N2/c18-16(19,20)12-14-7-15(14,13(25-24-12)17(21,22)23)11-6-5-10(14)8-3-1-2-4-9(8)11/h1-6,10-11H,7H2/t10-,11+,14-,15+
InChIKey OYISDMMQEXCKSZ-HGSJOUDDSA-N
Molecular Weight 356.271 g/mol
SMILES [C@]123[C@](C(C(F)(F)F)=NN=C3C(F)(F)F)([C@]3(C=C[C@@]1(c1c3cccc1)[H])[H])C2
SPLASH splash10-056r-0906000000-b35618bd02c2bf90029e
Source of Spectrum U-1996-775-14
Synonyms 3,6-bis(trifluoromethyl)-4,5-diazapentacyclo[6.6.2.1(2,7).0(2,7).0(9,14)]heptadeca-3,5,9,11,13,15-hexaene 3,6-bis(Trifluoromethyl)-4,5-diazapentacyclo[6.6.2.1(2,70.0(2,7).0(9,14)]heptadeca-3,5,9(14),10,12,15-hexaene
Wiley ID 768461