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2-CHLORO-N6-(2-HYDROXY-5-METHYLBENZYL)-ADENOSINE
SpectraBase Compound ID H5zaraDg2vW
InChI InChI=1S/C18H20ClN5O5/c1-8-2-3-10(26)9(4-8)5-20-15-12-16(23-18(19)22-15)24(7-21-12)17-14(28)13(27)11(6-25)29-17/h2-4,7,11,13-14,17,25-28H,5-6H2,1H3,(H,20,22,23)/t11-,13-,14-,17-/m0/s1
InChIKey ZWAREHVKERVEOT-MJFSBKNWSA-N
Mol Weight 421.84 g/mol
Molecular Formula C18H20ClN5O5
Exact Mass 421.115296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrgyFataOIO
Name 2-CHLORO-N6-(2-HYDROXY-5-METHYLBENZYL)-ADENOSINE
Compound Number L13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20ClN5O5
InChI InChI=1S/C18H20ClN5O5/c1-8-2-3-10(26)9(4-8)5-20-15-12-16(23-18(19)22-15)24(7-21-12)17-14(28)13(27)11(6-25)29-17/h2-4,7,11,13-14,17,25-28H,5-6H2,1H3,(H,20,22,23)/t11-,13-,14-,17-/m0/s1
InChIKey ZWAREHVKERVEOT-MJFSBKNWSA-N
Literature Reference Author P.STARHA,I.POPA,Z.TRAVNICEK,J.VANCO
Literature Reference Citation MOLECULES,18,6990(2013)
Literature Reference DOI 10.3390/molecules18066990
Molecular Weight 421.840 g/mol
Solvent DMF-D7
Source File Reference UWBT9460