For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
9-Benzyl-8-(4-fluorophenyl)adenine
SpectraBase Compound ID 5J0m4Oomx3I
InChI InChI=1S/C18H14FN5/c19-14-8-6-13(7-9-14)17-23-15-16(20)21-11-22-18(15)24(17)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22)
InChIKey AAEOJZSXODRKCE-UHFFFAOYSA-N
Mol Weight 319.34 g/mol
Molecular Formula C18H14FN5
Exact Mass 319.123324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7ynGFvAM0i0
Name 9-Benzyl-8-(4-fluorophenyl)adenine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14FN5
InChI InChI=1S/C18H14FN5/c19-14-8-6-13(7-9-14)17-23-15-16(20)21-11-22-18(15)24(17)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,21,22)
InChIKey AAEOJZSXODRKCE-UHFFFAOYSA-N
Molecular Weight 319.343 g/mol
SMILES Nc1c2c([n](c(n2)-c2ccc(cc2)F)Cc2ccccc2)ncn1
SPLASH splash10-00kf-9006000000-24ba26d695a1d6496ee9
Source of Spectrum SO-0-1708-4
Synonyms 9-benzyl-8-(4-fluorophenyl)-9H-purin-6-amine 9-benzyl-8-(4-fluorophenyl)-9H-purin-6-ylamine
Wiley ID 878581