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9H-Purine, 6-phenyl-9-(phenylmethyl)-2-(trifluoromethyl)-
SpectraBase Compound ID 8eUPWkpqbKH
InChI InChI=1S/C19H13F3N4/c20-19(21,22)15-8-4-7-14(9-15)16-17-18(24-11-23-16)26(12-25-17)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey VAFKPFDDSRQOFR-UHFFFAOYSA-N
Mol Weight 354.34 g/mol
Molecular Formula C19H13F3N4
Exact Mass 354.109231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dYxXU0Ftnx
Name 9H-Purine, 6-phenyl-9-(phenylmethyl)-2-(trifluoromethyl)-
CAS Registry Number 112779-07-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13F3N4
InChI InChI=1S/C19H13F3N4/c20-19(21,22)15-8-4-7-14(9-15)16-17-18(24-11-23-16)26(12-25-17)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey VAFKPFDDSRQOFR-UHFFFAOYSA-N
Molecular Weight 354.336 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2-c1cc(C(F)(F)F)ccc1
SPLASH splash10-0f6x-8019000000-2c5819a52d4fa5273de3
Source of Spectrum Y-24-861-13
Synonyms 9-Benzyl-6-(3-trifluoromethyl)phenyl-purine 9H-purine, 6(3-trifluoromethyl-phenyl)-9-(phenylmethyl) 6-Phenyl-9-(phenylmethyl)-2-(trifluoromethyl)purine 9-Benzyl-6-phenyl-2-trifluoromethylpurine 9-Benzyl-6-phenyl-2-(trifluoromethyl)-9H-purine 9-Benzyl-6-[3-(trifluoromethyl)phenyl]-9H-purine 9-Benzyl-6-phenyl-2-(trifluoromethyl)purine 9H-Purine, 6-(3-trifluoromethyl-phenyl)-9-(phenylmethyl)-
Wiley ID 1344462