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2,6-Bis(trifluoromethyl)-9-heptyl-9H-purine

View entire compound with spectra: 1 MS (GC)

2,6-Bis(trifluoromethyl)-9-heptyl-9H-purine
SpectraBase Compound ID 4bPHExHLZKr
InChI InChI=1S/C14H16F6N4/c1-2-3-4-5-6-7-24-8-21-9-10(13(15,16)17)22-12(14(18,19)20)23-11(9)24/h8H,2-7H2,1H3
InChIKey JATKNXGIWOHAPX-UHFFFAOYSA-N
Mol Weight 354.3 g/mol
Molecular Formula C14H16F6N4
Exact Mass 354.127916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KY8aFeLqBQY
Name 2,6-Bis(trifluoromethyl)-9-heptyl-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16F6N4
InChI InChI=1S/C14H16F6N4/c1-2-3-4-5-6-7-24-8-21-9-10(13(15,16)17)22-12(14(18,19)20)23-11(9)24/h8H,2-7H2,1H3
InChIKey JATKNXGIWOHAPX-UHFFFAOYSA-N
Molecular Weight 354.300 g/mol
SMILES c12c(nc(nc2[n](CCCCCCC)cn1)C(F)(F)F)C(F)(F)F
SPLASH splash10-0q29-2095000000-b6d5d3cb0ccaa5ff258d
Source of Spectrum F-67-8325-9c
Wiley ID 1690964