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Potassium sorbate (590-00-1) 13C NMR
Product NamePotassium sorbate
CAS590-00-1
Molecular FormulaC6H7KO2
Molecular Weight150.22
InChIInChI=1S/C6H8O2.K/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
InChIKey CHHHXKFHOYLYRE-STWYSWDKSA-M
Smiles[K+].C([O-])(=O)/C=C/C=C/C
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Assign. Shift(ppm)
A 6.987 B 6.253 C 6.143 D 5.826 E 1.813 J(A,B)=10.6HZ J(A,D)=15.4HZ J(B,C)=15.1HZ J(B,D)=-0.7HZ J(B,E)=-1.5HZ J(C,E)=6.7HZSpectral Code: 1H NMR : 400 MHz in D2O
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ppm Int. Assign.
177.01 587 1 142.62 960 2 138.59 1000 3 130.66 900 4 125.63 896 5 18.71 493 6 ASSIGNED BY C-H COSY.Spectral Code: 13C NMR : in D2O
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Spectral Code: IR : nujol mull
