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10,14-Dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1(9,12).0(2,6)]tetradeca-3,5-dien-8-ol, 4-(trifluoromethyl)-
SpectraBase Compound ID H2T8bBD6VPY
InChI InChI=1S/C9H9F3N4O3/c10-9(11,12)5-13-7-14-8(17)1-3(16(7)15-5)4-2-18-6(8)19-4/h3-4,6,17H,1-2H2,(H,13,14,15)/t3-,4+,6+,8-/m0/s1
InChIKey JAJQCHRNDZFNPR-MBSOANJMSA-N
Mol Weight 278.19 g/mol
Molecular Formula C9H9F3N4O3
Exact Mass 278.062675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Rb0T9uKSj9
Name 10,14-Dioxa-2,3,5,7-tetraazatetracyclo[6.4.1.1(9,12).0(2,6)]tetradeca-3,5-dien-8-ol, 4-(trifluoromethyl)-
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Formula C9H9F3N4O3
InChI InChI=1S/C9H9F3N4O3/c10-9(11,12)5-13-7-14-8(17)1-3(16(7)15-5)4-2-18-6(8)19-4/h3-4,6,17H,1-2H2,(H,13,14,15)/t3-,4+,6+,8-/m0/s1
InChIKey JAJQCHRNDZFNPR-MBSOANJMSA-N
Molecular Weight 278.191 g/mol
SMILES N1[C@@]2(C[C@]([n]3c1nc(C(F)(F)F)n3)([C@]1(CO[C@@]2(O1)[H])[H])[H])O
SPLASH splash10-0536-9540000000-40f750190ea7851129af
Source of Spectrum IY-1-4682-2
Wiley ID 1654805