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

View entire compound with spectra: 1 MS (GC)

9-Benzyl-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID 95i97EhAgRo
InChI InChI=1S/C14H8F6N4/c15-13(16,17)10-9-11(23-12(22-10)14(18,19)20)24(7-21-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey CRDAQKSWTTYKKQ-UHFFFAOYSA-N
Mol Weight 346.24 g/mol
Molecular Formula C14H8F6N4
Exact Mass 346.065315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AKVhYgPfu1K
Name 9-Benzyl-2,6-bis(trifluoromethyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8F6N4
InChI InChI=1S/C14H8F6N4/c15-13(16,17)10-9-11(23-12(22-10)14(18,19)20)24(7-21-9)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKey CRDAQKSWTTYKKQ-UHFFFAOYSA-N
Molecular Weight 346.236 g/mol
SMILES c12c(nc(nc2C(F)(F)F)C(F)(F)F)[n](Cc2ccccc2)cn1
SPLASH splash10-0005-4009000000-7d9de0393a28aaffdcfb
Source of Spectrum F-67-8326-9k
Wiley ID 1690957