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ADENOSINE-5'-MONOPHOSPHORIC_HEPTANOIC-ANHYDRIDE;HEPTANOYL_AMP
SpectraBase Compound ID KJTEQ7f2p1Q
InChI InChI=1S/C17H26N5O8P/c1-2-3-4-5-6-11(23)30-31(26,27)28-7-10-13(24)14(25)17(29-10)22-9-21-12-15(18)19-8-20-16(12)22/h8-10,13-14,17,24-25H,2-7H2,1H3,(H,26,27)(H2,18,19,20)/t10-,13-,14-,17-/m0/s1
InChIKey PPABHHGJPOFGTG-FTNXOLCNSA-N
Mol Weight 459.4 g/mol
Molecular Formula C17H26N5O8P
Exact Mass 459.1519 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Auchs5x0nmi
Name ADENOSINE-5'-MONOPHOSPHORIC_HEPTANOIC-ANHYDRIDE;HEPTANOYL_AMP;100_MM_MGCL2
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N5O8P
InChI InChI=1S/C17H26N5O8P/c1-2-3-4-5-6-11(23)30-31(26,27)28-7-10-13(24)14(25)17(29-10)22-9-21-12-15(18)19-8-20-16(12)22/h8-10,13-14,17,24-25H,2-7H2,1H3,(H,26,27)(H2,18,19,20)/t10-,13-,14-,17-/m0/s1
InChIKey PPABHHGJPOFGTG-FTNXOLCNSA-N
Literature Reference Author O.F.SCHALL,I.SUZUKI,C.L.MURRAY,J.I.GORDON,G.W.GOKEL
Literature Reference Citation J.ORG.CHEM.,63,8661(1998)
Literature Reference DOI 10.1021/jo971874f
Solvent 20%_DMSO-D6:150MM_TAPS;PH=9
Source File Reference UWMZ26121