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2-Benzyl-6-carbamoyl-purine
SpectraBase Compound ID 4t7nNkRS772
InChI InChI=1S/C13H11N5O/c14-12(19)10-11-13(16-7-15-11)18-9(17-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,19)(H,15,16,17,18)
InChIKey NVQIHMQESWDAIO-UHFFFAOYSA-N
Mol Weight 253.26 g/mol
Molecular Formula C13H11N5O
Exact Mass 253.09636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgM8RDHjUkT
Name 2-Benzyl-6-carbamoyl-purine
CAS Registry Number 129694-58-2
Comments BRUKER WP80 OR XL300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H11N5O
InChI InChI=1S/C13H11N5O/c14-12(19)10-11-13(16-7-15-11)18-9(17-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,19)(H,15,16,17,18)
InChIKey NVQIHMQESWDAIO-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference M.J. Alves, B.L. Booth, J.R.Proenc, J. Chem. Soc. Perkin I 1705 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6