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6-CHLORO-9-[5'-O-ACETYL-2',3'-O-(1R)-BENZYLIDENE-BETA-D-RIBOFURANOSYL]-PURINE

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6-CHLORO-9-[5'-O-ACETYL-2',3'-O-(1R)-BENZYLIDENE-BETA-D-RIBOFURANOSYL]-PURINE
SpectraBase Compound ID 9bjg1ykEbCT
InChI InChI=1S/2C19H17ClN4O5/c2*1-10(25)26-7-12-14-15(29-19(28-14)11-5-3-2-4-6-11)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h2*2-6,8-9,12,14-15,18-19H,7H2,1H3/t2*12-,14-,15-,18-,19-/m00/s1
InChIKey LOMCUUDPCLBLMB-YXLAMFSPSA-N
Mol Weight 833.64 g/mol
Molecular Formula C38H34Cl2N8O10
Exact Mass 832.177495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4CksmsXPVzT
Name 6-CHLORO-9-[5'-O-ACETYL-2',3'-O-(1R)-BENZYLIDENE-BETA-D-RIBOFURANOSYL]-PURINE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34Cl2N8O10
InChI InChI=1S/2C19H17ClN4O5/c2*1-10(25)26-7-12-14-15(29-19(28-14)11-5-3-2-4-6-11)18(27-12)24-9-23-13-16(20)21-8-22-17(13)24/h2*2-6,8-9,12,14-15,18-19H,7H2,1H3/t2*12-,14-,15-,18-,19-/m00/s1
InChIKey LOMCUUDPCLBLMB-YXLAMFSPSA-N
Literature Reference Author E.KLEIN,S.MONS,A.VALLEIX,C.MIOSKOWSKI,L.LEBEAU
Literature Reference Citation J.ORG.CHEM.,67,146(2002)
Literature Reference DOI 10.1021/jo015836e
Molecular Weight 833.642 g/mol
Solvent D2O
Source File Reference UWMS24257