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9-(5-O-BENZOYL-2-DEOXY-BETA-L-THREO-PENTOFURANOSYL)-2-CHLOROADENINE
SpectraBase Compound ID K0M57zh9A4O
InChI InChI=1S/C17H16ClN5O4/c18-17-21-14(19)13-15(22-17)23(8-20-13)12-6-10(24)11(27-12)7-26-16(25)9-4-2-1-3-5-9/h1-5,8,10-12,24H,6-7H2,(H2,19,21,22)/t10-,11-,12-/m1/s1
InChIKey IFJQAYMCHLBKRZ-IJLUTSLNSA-N
Mol Weight 389.8 g/mol
Molecular Formula C17H16ClN5O4
Exact Mass 389.089082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXjfi8PNI19
Name 9-(5-O-BENZOYL-2-DEOXY-BETA-L-THREO-PENTOFURANOSYL)-2-CHLOROADENINE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16ClN5O4
InChI InChI=1S/C17H16ClN5O4/c18-17-21-14(19)13-15(22-17)23(8-20-13)12-6-10(24)11(27-12)7-26-16(25)9-4-2-1-3-5-9/h1-5,8,10-12,24H,6-7H2,(H2,19,21,22)/t10-,11-,12-/m1/s1
InChIKey IFJQAYMCHLBKRZ-IJLUTSLNSA-N
Literature Reference Author A.MARCHAND,T.LIOUX,C.MATHE,J.L.IMBACH,G.GOSSELIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2249(1999)
Literature Reference DOI 10.1039/a904380b
Molecular Weight 389.798 g/mol
Solvent DMSO-D6
Source File Reference UWRU5576