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9-(2,6-Dibromo-4-methylphenyl)-2,6-bis(trifluoromethyl)-9H-purine

View entire compound with spectra: 1 MS (GC)

9-(2,6-Dibromo-4-methylphenyl)-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID K68jhBXwrjk
InChI InChI=1S/C14H6Br2F6N4/c1-5-2-6(15)9(7(16)3-5)26-4-23-8-10(13(17,18)19)24-12(14(20,21)22)25-11(8)26/h2-4H,1H3
InChIKey VBLKEDZLKOPUST-UHFFFAOYSA-N
Mol Weight 504.03 g/mol
Molecular Formula C14H6Br2F6N4
Exact Mass 501.886341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76piFO3V87Y
Name 9-(2,6-Dibromo-4-methylphenyl)-2,6-bis(trifluoromethyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H6Br2F6N4
InChI InChI=1S/C14H6Br2F6N4/c1-5-2-6(15)9(7(16)3-5)26-4-23-8-10(13(17,18)19)24-12(14(20,21)22)25-11(8)26/h2-4H,1H3
InChIKey VBLKEDZLKOPUST-UHFFFAOYSA-N
Molecular Weight 504.028 g/mol
SMILES c12[n](cnc2c(C(F)(F)F)nc(n1)C(F)(F)F)-c1c(cc(cc1Br)C)Br
SPLASH splash10-00fr-0000900000-daf49c9307853d23e12b
Source of Spectrum F-67-8328-10j
Wiley ID 1690945