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ATKJNMKSRQKQIN-UHFFFAOYSA-N
SpectraBase Compound ID KvG5u0K5T48
InChI InChI=1S/C12H27NO6P2.C6H3N3O7/c1-5-16-20(14,17-6-2)12(10-9-11-13-12)21(15,18-7-3)19-8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13H,5-11H2,1-4H3;1-2,10H
InChIKey ATKJNMKSRQKQIN-UHFFFAOYSA-N
Mol Weight 572.4 g/mol
Molecular Formula C18H30N4O13P2
Exact Mass 572.128461 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5UsRmlPBU7
Name ATKJNMKSRQKQIN-UHFFFAOYSA-N
Compound Number 5A_PICRATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30N4O13P2
InChI InChI=1S/C12H27NO6P2.C6H3N3O7/c1-5-16-20(14,17-6-2)12(10-9-11-13-12)21(15,18-7-3)19-8-4;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13H,5-11H2,1-4H3;1-2,10H
InChIKey ATKJNMKSRQKQIN-UHFFFAOYSA-N
Literature Reference Author G.OLIVE,F.L.MOIGNE,A.MERCIER,A.ROCKENBAUER,P.TORDO
Literature Reference Citation J.ORG.CHEM.,63,9095(1998)
Literature Reference DOI 10.1021/jo980092z
Solvent CDCl3
Source File Reference UWMZ26262