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6-(3,3-Dimethyl-allylamino)-3-(3-ethoxycarbonyl-propyl)-purine

View entire compound with spectra: 1 NMR

6-(3,3-Dimethyl-allylamino)-3-(3-ethoxycarbonyl-propyl)-purine
SpectraBase Compound ID KLU0bjthkgf
InChI InChI=1S/C16H23N5O2/c1-4-23-13(22)6-5-9-21-11-20-15(17-8-7-12(2)3)14-16(21)19-10-18-14/h7,10-11,17H,4-6,8-9H2,1-3H3
InChIKey QQSJNEOYOPAZPB-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C16H23N5O2
Exact Mass 317.185175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 54HE7ItWIWh
Name 6-(3,3-Dimethyl-allylamino)-3-(3-ethoxycarbonyl-propyl)-purine
Comments HYDROBROMIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H23N5O2
InChI InChI=1S/C16H23N5O2/c1-4-23-13(22)6-5-9-21-11-20-15(17-8-7-12(2)3)14-16(21)19-10-18-14/h7,10-11,17H,4-6,8-9H2,1-3H3
InChIKey QQSJNEOYOPAZPB-UHFFFAOYSA-N
Literature Reference F. Seela, D. Hasselmann, Chem. Ber. 112, 3072 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6