山梨酸鉀(590-00-1)紅外圖譜(IR1)
InChI:InChI=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)=6.7HZ
Spectral 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