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

View entire compound with spectra: 1 MS (GC)

4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)benzenamine
SpectraBase Compound ID 6SiEhV0br9d
InChI InChI=1S/C13H7F6N5/c14-12(15,16)9-8-10(23-11(22-9)13(17,18)19)24(5-21-8)7-3-1-6(20)2-4-7/h1-5H,20H2
InChIKey ZXRNXBYDSUERQI-UHFFFAOYSA-N
Mol Weight 347.22 g/mol
Molecular Formula C13H7F6N5
Exact Mass 347.060564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ID56myjrxPX
Name 4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)benzenamine
Comments Less than 3 mono-isotopic peaks
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Formula C13H7F6N5
InChI InChI=1S/C13H7F6N5/c14-12(15,16)9-8-10(23-11(22-9)13(17,18)19)24(5-21-8)7-3-1-6(20)2-4-7/h1-5H,20H2
InChIKey ZXRNXBYDSUERQI-UHFFFAOYSA-N
Molecular Weight 347.224 g/mol
SMILES Nc1ccc(-[n]2c3c(c(C(F)(F)F)nc(n3)C(F)(F)F)nc2)cc1
SPLASH splash10-0002-0009000000-2c880b301a0e08d037c2
Source of Spectrum F-67-8328-12
Wiley ID 1713568