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9-(3,4-Dimethoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

9-(3,4-Dimethoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID 7Hhw64l9TVe
InChI InChI=1S/C17H14F6N4O2/c1-28-10-4-3-9(7-11(10)29-2)5-6-27-8-24-12-13(16(18,19)20)25-15(17(21,22)23)26-14(12)27/h3-4,7-8H,5-6H2,1-2H3
InChIKey FWVIOSPQJFAFHB-UHFFFAOYSA-N
Mol Weight 420.32 g/mol
Molecular Formula C17H14F6N4O2
Exact Mass 420.102095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCHJngyrIUY
Name 9-(3,4-Dimethoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine
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Formula C17H14F6N4O2
InChI InChI=1S/C17H14F6N4O2/c1-28-10-4-3-9(7-11(10)29-2)5-6-27-8-24-12-13(16(18,19)20)25-15(17(21,22)23)26-14(12)27/h3-4,7-8H,5-6H2,1-2H3
InChIKey FWVIOSPQJFAFHB-UHFFFAOYSA-N
Molecular Weight 420.315 g/mol
SMILES c12c(nc(nc2[n](CCc2cc(OC)c(cc2)OC)cn1)C(F)(F)F)C(F)(F)F
SPLASH splash10-03di-0900100000-79343178249f7428d830
Source of Spectrum F-67-8327-9o
Wiley ID 1690953