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2-CHLORO-ADENOSINE-5'-TRIPHOSPHATE
SpectraBase Compound ID 48llmUEv9cq
InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m0/s1
InChIKey RNGCVFCOKZEZFL-GIMIYPNGSA-J
Mol Weight 537.59 g/mol
Molecular Formula C10H11ClN5O13P3
Exact Mass 536.925474 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzPnBhOvWNz
Name 2-CHLORO-ADENOSINE-5'-TRIPHOSPHATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H11ClN5O13P3
InChI InChI=1S/C10H15ClN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t3-,5-,6-,9-/m0/s1
InChIKey RNGCVFCOKZEZFL-GIMIYPNGSA-J
Literature Reference Author D.T.MAJOR,A.LAXER,B.FISCHER
Literature Reference Citation J.ORG.CHEM.,67,790(2002)
Literature Reference DOI 10.1021/jo0107554
Solvent H2O;PH=5.41
Source File Reference UWMS23196