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9-[2-(2-chlorophenyl)ethyl]-2,6-bis(trifluoromethyl)-9H-purine
SpectraBase Compound ID BNsvDKOYO2o
InChI InChI=1S/C15H9ClF6N4/c16-9-4-2-1-3-8(9)5-6-26-7-23-10-11(14(17,18)19)24-13(15(20,21)22)25-12(10)26/h1-4,7H,5-6H2
InChIKey RAQZJTYMKDSZGQ-UHFFFAOYSA-N
Mol Weight 394.71 g/mol
Molecular Formula C15H9ClF6N4
Exact Mass 394.041993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzFkJlfepJP
Name 9-[2-(2-chlorophenyl)ethyl]-2,6-bis(trifluoromethyl)-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H9ClF6N4
InChI InChI=1S/C15H9ClF6N4/c16-9-4-2-1-3-8(9)5-6-26-7-23-10-11(14(17,18)19)24-13(15(20,21)22)25-12(10)26/h1-4,7H,5-6H2
InChIKey RAQZJTYMKDSZGQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201200221
Molecular Weight 394.708 g/mol
SMILES c12nc(nc(c1nc[n]2CCc1c(cccc1)Cl)C(F)(F)F)C(F)(F)F
SPLASH splash10-000i-0901000000-3764a33271ef97b77f88
Source of Spectrum ASC-354-n/a/SM12-8a
Synonyms 9-(2-Chlorophenethyl)-2,6-bis(trifluoromethyl)-9H-purine
Wiley ID 1762671