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2-chloroacetic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester
SpectraBase Compound ID BvwcS7KLgq
InChI InChI=1S/C12H14ClN5O4/c13-2-9(20)21-3-7-6(19)1-8(22-7)18-5-17-10-11(14)15-4-16-12(10)18/h4-8,19H,1-3H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
InChIKey PCGXMXGVRGHCRQ-XLPZGREQSA-N
Mol Weight 327.73 g/mol
Molecular Formula C12H14ClN5O4
Exact Mass 327.073432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 248vGKiuNRP
Name 2-chloroacetic acid [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester
Compound Number 3L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14ClN5O4
InChI InChI=1S/C12H14ClN5O4/c13-2-9(20)21-3-7-6(19)1-8(22-7)18-5-17-10-11(14)15-4-16-12(10)18/h4-8,19H,1-3H2,(H2,14,15,16)/t6-,7+,8+/m0/s1
InChIKey PCGXMXGVRGHCRQ-XLPZGREQSA-N
Literature Reference Author F.MORIS,V.GOTOR
Literature Reference Citation J.ORG.CHEM.,58,653(1993)
Literature Reference DOI 10.1021/jo00055a018
Molecular Weight 327.727 g/mol
Solvent DMSO-D6
Source File Reference UWCS18850