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2-Methyl-5-trifluoromethyl-7,8,9,10,11,12-hexahydro-6,10;8,12-dimethano-6H-[9]annuleno[e]pyrazolo[2,3-a]pyrimidine
SpectraBase Compound ID 7HI2CLfPIj3
InChI InChI=1S/C17H18F3N3/c1-8-2-13-21-16(17(18,19)20)14-11-4-9-3-10(5-11)7-12(6-9)15(14)23(13)22-8/h2,9-12H,3-7H2,1H3/t9-,10+,11-,12+
InChIKey HEOAGPGEQMXFLB-BKUVIOGVSA-N
Mol Weight 321.35 g/mol
Molecular Formula C17H18F3N3
Exact Mass 321.145282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UPl5CEowWo
Name 2-Methyl-5-trifluoromethyl-7,8,9,10,11,12-hexahydro-6,10;8,12-dimethano-6H-[9]annuleno[e]pyrazolo[2,3-a]pyrimidine
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Formula C17H18F3N3
InChI InChI=1S/C17H18F3N3/c1-8-2-13-21-16(17(18,19)20)14-11-4-9-3-10(5-11)7-12(6-9)15(14)23(13)22-8/h2,9-12H,3-7H2,1H3/t9-,10+,11-,12+
InChIKey HEOAGPGEQMXFLB-BKUVIOGVSA-N
Molecular Weight 321.347 g/mol
SMILES c12[n](C3=C(C(=N2)C(F)(F)F)[C@@]2(C[C@@]4(C[C@]3(C[C@](C2)(C4)[H])[H])[H])[H])nc(c1)C
SPLASH splash10-00di-0039000000-77e0883d50a5387ddf18
Source of Spectrum H1-42-338-7
Synonyms 5-Methyl-9-(trifluoromethyl)-3,4,8-triazapentacyclo[11.3.1.1(11,15).0(2,10).0(3,7)]octadeca-2(10),4,6,8-tetraene
Wiley ID 757570