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9-(4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)phenyl)-2,6-bis(trifluoromethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

9-(4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)phenyl)-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID 5z8BsVavB5a
InChI InChI=1S/C20H6F12N8/c21-17(22,23)11-9-13(37-15(35-11)19(27,28)29)39(5-33-9)7-1-2-8(4-3-7)40-6-34-10-12(18(24,25)26)36-16(20(30,31)32)38-14(10)40/h1-6H
InChIKey CYPJPDGUMYWVGL-UHFFFAOYSA-N
Mol Weight 586.3 g/mol
Molecular Formula C20H6F12N8
Exact Mass 586.05238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UIRlGPTVuw
Name 9-(4-(2,6-Bis(trifluoromethyl)-9H-purin-9-yl)phenyl)-2,6-bis(trifluoromethyl)-9H-purine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H6F12N8
InChI InChI=1S/C20H6F12N8/c21-17(22,23)11-9-13(37-15(35-11)19(27,28)29)39(5-33-9)7-1-2-8(4-3-7)40-6-34-10-12(18(24,25)26)36-16(20(30,31)32)38-14(10)40/h1-6H
InChIKey CYPJPDGUMYWVGL-UHFFFAOYSA-N
Molecular Weight 586.305 g/mol
SMILES c12c(c(C(F)(F)F)nc(n2)C(F)(F)F)nc[n]1-c1ccc(-[n]2c3c(c(C(F)(F)F)nc(n3)C(F)(F)F)nc2)cc1
SPLASH splash10-000i-0000090000-eae21a617f66f76322c6
Source of Spectrum F-67-8328-14
Wiley ID 1690943