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3'-AMINO-3'-DESOXYADENOSIN-5'-THIONOPHOSPHATE-BIS-(PARA-NITROPHENYLESTER)
SpectraBase Compound ID Z20dhoL55R
InChI InChI=1S/C22H21N8O9PS/c23-17-16(37-22(19(17)31)28-11-27-18-20(24)25-10-26-21(18)28)9-36-40(41,38-14-5-1-12(2-6-14)29(32)33)39-15-7-3-13(4-8-15)30(34)35/h1-8,10-11,16-17,19,22,31H,9,23H2,(H2,24,25,26)/t16-,17-,19-,22-/m0/s1
InChIKey ZQJUFKBIHPJNFJ-SXKCCIOGSA-N
Mol Weight 604.49 g/mol
Molecular Formula C22H21N8O9PS
Exact Mass 604.088982 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JCuGTt4f53d
Name 3'-AMINO-3'-DESOXYADENOSIN-5'-THIONOPHOSPHATE-BIS-(PARA-NITROPHENYLESTER)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21N8O9PS
InChI InChI=1S/C22H21N8O9PS/c23-17-16(37-22(19(17)31)28-11-27-18-20(24)25-10-26-21(18)28)9-36-40(41,38-14-5-1-12(2-6-14)29(32)33)39-15-7-3-13(4-8-15)30(34)35/h1-8,10-11,16-17,19,22,31H,9,23H2,(H2,24,25,26)/t16-,17-,19-,22-/m0/s1
InChIKey ZQJUFKBIHPJNFJ-SXKCCIOGSA-N
Literature Reference Author M.MORR,L.ERNST
Literature Reference Citation CHEM.BER.,111,2152(1978)
Literature Reference DOI 10.1002/cber.19781110612
Molecular Weight 604.491 g/mol
Solvent CD3OD
Source File Reference UWCS8986