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9-(2-Methoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

9-(2-Methoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID AvZ9RhhJirD
InChI InChI=1S/C16H12F6N4O/c1-27-10-5-3-2-4-9(10)6-7-26-8-23-11-12(15(17,18)19)24-14(16(20,21)22)25-13(11)26/h2-5,8H,6-7H2,1H3
InChIKey LEARKZREHUOOJR-UHFFFAOYSA-N
Mol Weight 390.29 g/mol
Molecular Formula C16H12F6N4O
Exact Mass 390.09153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GuUjoSXDEt
Name 9-(2-Methoxyphenethyl)-2,6-bis(trifluoromethyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F6N4O
InChI InChI=1S/C16H12F6N4O/c1-27-10-5-3-2-4-9(10)6-7-26-8-23-11-12(15(17,18)19)24-14(16(20,21)22)25-13(11)26/h2-5,8H,6-7H2,1H3
InChIKey LEARKZREHUOOJR-UHFFFAOYSA-N
Molecular Weight 390.289 g/mol
SMILES c12c(nc(nc2[n](CCc2c(OC)cccc2)cn1)C(F)(F)F)C(F)(F)F
SPLASH splash10-00lu-3902000000-7031ad5829e53c6a1759
Source of Spectrum F-67-8327-9n
Wiley ID 1690954