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N-(3-Trifluoromethyl-phenyl)-2,8-dimethyl-9H-purin-6-amine

View entire compound with spectra: 1 NMR

N-(3-Trifluoromethyl-phenyl)-2,8-dimethyl-9H-purin-6-amine
SpectraBase Compound ID LpSc7V6XPqM
InChI InChI=1S/C14H12F3N5/c1-7-18-11-12(19-7)20-8(2)21-13(11)22-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H2,18,19,20,21,22)
InChIKey ZSPVWPMIRLYERR-UHFFFAOYSA-N
Mol Weight 307.28 g/mol
Molecular Formula C14H12F3N5
Exact Mass 307.10448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KEhd5AG3M0l
Name N-(3-Trifluoromethyl-phenyl)-2,8-dimethyl-9H-purin-6-amine
CAS Registry Number 96883-31-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H12F3N5
InChI InChI=1S/C14H12F3N5/c1-7-18-11-12(19-7)20-8(2)21-13(11)22-10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3,(H2,18,19,20,21,22)
InChIKey ZSPVWPMIRLYERR-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference F.E. Nielsen, K.E. Nielsen, E.B. Pedersen, Chemica Scripta 24, 208 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6