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2',3'-ISOPROPYLIDENE-C8-BROMO-ADENOSINE-5'-MONOPHOSPHATE-(ORTHO-HYDROXY-PHENYLESTER);BR-AMP-AC-S
SpectraBase Compound ID 2p5dEl7VNW1
InChI InChI=1S/C19H21BrN5O8P/c1-19(2)31-13-11(7-29-34(27,28)33-10-6-4-3-5-9(10)26)30-17(14(13)32-19)25-16-12(24-18(25)20)15(21)22-8-23-16/h3-6,8,11,13-14,17,26H,7H2,1-2H3,(H,27,28)(H2,21,22,23)/t11-,13-,14-,17-/m0/s1
InChIKey ONMIPFOOZONFLS-MJFSBKNWSA-N
Mol Weight 558.28 g/mol
Molecular Formula C19H21BrN5O8P
Exact Mass 557.031113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PrIlZhmgLp
Name 2',3'-ISOPROPYLIDENE-C8-BROMO-ADENOSINE-5'-MONOPHOSPHATE-(ORTHO-HYDROXY-PHENYLESTER);BR-AMP-AC-S
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20BrN5O8P
InChI InChI=1S/C19H21BrN5O8P/c1-19(2)31-13-11(7-29-34(27,28)33-10-6-4-3-5-9(10)26)30-17(14(13)32-19)25-16-12(24-18(25)20)15(21)22-8-23-16/h3-6,8,11,13-14,17,26H,7H2,1-2H3,(H,27,28)(H2,21,22,23)/t11-,13-,14-,17-/m0/s1
InChIKey ONMIPFOOZONFLS-MJFSBKNWSA-N
Literature Reference Author L.SCHMITT,R.TAMPE
Literature Reference Citation J.AM.CHEM.SOC.,118,5532(1996)
Literature Reference DOI 10.1021/ja953937m
Molecular Weight 557.274 g/mol
Sample ID 55004
Solvent DMSO