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KHURNELTSGLOHO-DNJQXARPSA-M

View entire compound with spectra: 2 NMR

KHURNELTSGLOHO-DNJQXARPSA-M
SpectraBase Compound ID FLFMd8zsXkq
InChI InChI=1S/C16H28NO13PS.K/c1-6-25-31(21,26-7-2)17-16-15(29-11(5)20)14(28-10(4)19)13(27-9(3)18)12(30-16)8-32(22,23)24;/h12-16H,6-8H2,1-5H3,(H,17,21)(H,22,23,24);/q;+1/p-1/t12-,13-,14+,15-,16-;/m1./s1
InChIKey KHURNELTSGLOHO-DNJQXARPSA-M
Mol Weight 543.52 g/mol
Molecular Formula C16H27KNO13PS
Exact Mass 543.05778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23XdHvpQaBG
Name KHURNELTSGLOHO-DNJQXARPSA-M
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H27KNO13PS
InChI InChI=1S/C16H28NO13PS.K/c1-6-25-31(21,26-7-2)17-16-15(29-11(5)20)14(28-10(4)19)13(27-9(3)18)12(30-16)8-32(22,23)24;/h12-16H,6-8H2,1-5H3,(H,17,21)(H,22,23,24);/q;+1/p-1/t12-,13-,14+,15-,16-;/m1./s1
InChIKey KHURNELTSGLOHO-DNJQXARPSA-M
Literature Reference Author L.GABRIELLI,I.CALLONI,G.DONVITO,B.COSTA,N.ARRIGHETTI,P.PEREG O,D.COLOMBO,F.RONCHE
Literature Reference Citation EUR.J.ORG.CHEM.,2014,5962(2014)
Literature Reference DOI 10.1002/ejoc.201402664
Molecular Weight 543.521 g/mol
Solvent CD3OD
Source File Reference UWIR19003