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ADENOSINE-3',5'-CYCLOPHOSPHATE-2'-BETA-CYANOETHYLPHOSPHATE

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ADENOSINE-3',5'-CYCLOPHOSPHATE-2'-BETA-CYANOETHYLPHOSPHATE
SpectraBase Compound ID L8wcVpM5TrG
InChI InChI=1S/C14H17N5O9P2/c1-2-3-4-24-29(20,21)28-11-10-8(5-25-30(22,23)27-10)26-14(11)19-7-18-9-12(15)16-6-17-13(9)19/h1,6-8,10-11,14H,3-5H2,(H,20,21)(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey KBJBLPQLBOLWKE-IDTAVKCVSA-N
Mol Weight 461.26 g/mol
Molecular Formula C14H17N5O9P2
Exact Mass 461.050151 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQndTVEvslO
Name ADENOSINE-3',5'-CYCLOPHOSPHATE-2'-BETA-CYANOETHYLPHOSPHATE
Comments , 31P-{1H}, -1.02, -1.85 WERE ASSIGNED (S.T.). CHEMICAL SHIFT AXIS
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C14H17N5O9P2
InChI InChI=1S/C14H17N5O9P2/c1-2-3-4-24-29(20,21)28-11-10-8(5-25-30(22,23)27-10)26-14(11)19-7-18-9-12(15)16-6-17-13(9)19/h1,6-8,10-11,14H,3-5H2,(H,20,21)(H,22,23)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
InChIKey KBJBLPQLBOLWKE-IDTAVKCVSA-N
Instrument Name Bruker HX-90
Literature Reference M.YA.KARPEISKY, S.N.MIKHAILOV, N.SH.PADYUKOVA (1983) Bioorganich.Khim.(Russ.Lang.): v.9, N1, 132-133.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O deuterium oxide