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4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)-2,5-dimethylbenzenamine

View entire compound with spectra: 1 MS (GC)

4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)-2,5-dimethylbenzenamine
SpectraBase Compound ID F5OMzBYd4Mt
InChI InChI=1S/C15H11F6N5/c1-6-4-9(7(2)3-8(6)22)26-5-23-10-11(14(16,17)18)24-13(15(19,20)21)25-12(10)26/h3-5H,22H2,1-2H3
InChIKey CVMKABXHOVUBLW-UHFFFAOYSA-N
Mol Weight 375.28 g/mol
Molecular Formula C15H11F6N5
Exact Mass 375.091864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 754VMcOKJRV
Name 4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)-2,5-dimethylbenzenamine
Comments Less than 3 mono-isotopic peaks
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Formula C15H11F6N5
InChI InChI=1S/C15H11F6N5/c1-6-4-9(7(2)3-8(6)22)26-5-23-10-11(14(16,17)18)24-13(15(19,20)21)25-12(10)26/h3-5H,22H2,1-2H3
InChIKey CVMKABXHOVUBLW-UHFFFAOYSA-N
Molecular Weight 375.278 g/mol
SMILES Nc1cc(c(-[n]2c3c(c(C(F)(F)F)nc(n3)C(F)(F)F)nc2)cc1C)C
SPLASH splash10-004i-0009000000-8488989aa0513263f248
Source of Spectrum F-67-8328-13
Wiley ID 1690944