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(E)-1-HYDROXY-2-METHYL-BUT-2-ENYL-4-DIPHOSPHATE-TRIAMMONIUM-SALT
SpectraBase Compound ID 9V66dFPC17C
InChI InChI=1S/C5H12O8P2.3N/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9;;;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3/b5-2+;;;
InChIKey GJVYUVDEWGFLOV-JZWSQSCTSA-K
Mol Weight 301.088 g/mol
Molecular Formula C5H9N3O8P2
Exact Mass 300.986488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkbEASHmEVt
Name (E)-1-HYDROXY-2-METHYL-BUT-2-ENYL-4-DIPHOSPHATE-TRIAMMONIUM-SALT
Compound Number E-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H9N3O8P2
InChI InChI=1S/C5H12O8P2.3N/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9;;;/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9);;;/q;3*+1/p-3/b5-2+;;;
InChIKey GJVYUVDEWGFLOV-JZWSQSCTSA-K
Literature Reference Author S.AMSLINGER,K.KIS,S.HECHT,P.ADAM,F.ROHDICH,D.ARIGONI,A.BACHE R,W.EISENREICH
Literature Reference Citation J.ORG.CHEM.,67,4590(2002)
Literature Reference DOI 10.1021/jo025705t
Molecular Weight 301.089 g/mol
Solvent D2O;PH=7
Source File Reference UWVN23315