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N(9)-(3-Chloro-3-deoxy-B-D-xylofuranosyl)-adenine

View entire compound with spectra: 1 NMR

N(9)-(3-Chloro-3-deoxy-B-D-xylofuranosyl)-adenine
SpectraBase Compound ID 31w0c50nZjh
InChI InChI=1S/C10H12ClN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)
InChIKey MFLYVFVVSXGXLN-UHFFFAOYSA-N
Mol Weight 285.69 g/mol
Molecular Formula C10H12ClN5O3
Exact Mass 285.062867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JzREhAOomCD
Name N(9)-(3-Chloro-3-deoxy-B-D-xylofuranosyl)-adenine
CAS Registry Number 37731-77-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12ClN5O3
InChI InChI=1S/C10H12ClN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)
InChIKey MFLYVFVVSXGXLN-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference A.A. Akhrem, I.A. Mikhailopulo, Org. Magn. Resonance 12, 247 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6