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ADENOSINE-5'-DIPHOSPHATODICHLOROMETHYLPHOSPHONATE
SpectraBase Compound ID Fiz7Mc3gv84
InChI InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey DBTMQGIVIBACPO-KQYNXXCUSA-N
Mol Weight 574.1 g/mol
Molecular Formula C11H16Cl2N5O12P3
Exact Mass 572.938537 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RO8cMpXYcI
Name ADENOSINE-5'-DIPHOSPHATODICHLOROMETHYLPHOSPHONATE
Comments , PH=10. SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16Cl2N5O12P3
InChI InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-1-4-6(19)7(20)10(29-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10,19-20H,1H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey DBTMQGIVIBACPO-KQYNXXCUSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent H2O water