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2,6-Bis(trifluoromethyl)-9-((S)-1-phenylethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

2,6-Bis(trifluoromethyl)-9-((S)-1-phenylethyl)-9H-purine
SpectraBase Compound ID DhMrm1bQ6Ne
InChI InChI=1S/C15H10F6N4/c1-8(9-5-3-2-4-6-9)25-7-22-10-11(14(16,17)18)23-13(15(19,20)21)24-12(10)25/h2-8H,1H3/t8-/m0/s1
InChIKey MDOJKZVLZKAABI-QMMMGPOBSA-N
Mol Weight 360.26 g/mol
Molecular Formula C15H10F6N4
Exact Mass 360.080965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIUQGsnRgIt
Name 2,6-Bis(trifluoromethyl)-9-((S)-1-phenylethyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F6N4
InChI InChI=1S/C15H10F6N4/c1-8(9-5-3-2-4-6-9)25-7-22-10-11(14(16,17)18)23-13(15(19,20)21)24-12(10)25/h2-8H,1H3/t8-/m0/s1
InChIKey MDOJKZVLZKAABI-QMMMGPOBSA-N
Molecular Weight 360.263 g/mol
SMILES c12[n](cnc2c(C(F)(F)F)nc(n1)C(F)(F)F)[C@](c1ccccc1)(C)[H]
SPLASH splash10-0a4i-1905000000-bd1c228823041df299b2
Source of Spectrum F-67-8326-9l
Wiley ID 1690956