Product Name Potassium sorbate
CAS590-00-1
MFC6H7KO2
MW150.22
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+;
InChIKeyCHHHXKFHOYLYRE-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)=6.7HZ
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.
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