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1-Propyl-adenine cation

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1-Propyl-adenine cation
SpectraBase Compound ID C5iGb1SsWzH
InChI InChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(7(13)9)10-4-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)/p+1
InChIKey IBJXGYVSBVIKKI-UHFFFAOYSA-O
Mol Weight 178.22 g/mol
Molecular Formula C8H12N5
Exact Mass 178.10927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eb8B5P3kGkv
Name 1-Propyl-adenine cation
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H12N5
InChI InChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(7(13)9)10-4-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)/p+1
InChIKey IBJXGYVSBVIKKI-UHFFFAOYSA-O
Instrument Name Jeol PFT-100
Literature Reference M. Dreyfus, G. Dodin, D. Bensaude, J. Am. Chem. Soc. 99, 7027 (1977).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O