脫氫乙酸鈉(4418-26-2)核磁圖(13CNMR)
InChI:InChI=1S/C8H7O4.Na/c1-4-3-6(10)7(5(2)9)8(11)12-4;/h3H,1-2H3;/q-1;+1
InChIKey: YIOCQGHBBNGBND-UHFFFAOYSA-N
Smiles:C([C-]1C(OC(C)=CC1=O)=O)(=O)C.[Na+]
90 MHz in D2O
90 MHz in DMSO-d6
-
| 1H NMR |
89.56 MHz |
| C8 H7 Na O4
|
0.044 g : 0.5 ml D2O
|
| dehydroacetic acid sodium salt
|
 |
Assign. Shift(ppm)
A 5.73
B 2.447
C 2.104
J(A,C)=-0.8HZ
|
Hz ppm Int.
513.81 5.738 128
513.00 5.729 121
219.25 2.449 1000
215.50 2.407 35
214.44 2.395 28
188.88 2.109 550
188.06 2.100 519
-
| 1H NMR |
89.56 MHz |
| C8 H7 Na O4
|
0.043 g : 0.5 ml DMSO-d6
|
| dehydroacetic acid sodium salt
|
|
Assign. Shift(ppm)
A 5.441
B 2.303
C 1.964
J(A,C)=-0.8HZ
|
Hz ppm Int.
487.75 5.447 208
486.88 5.437 189
206.31 2.304 1000
176.31 1.969 591
175.50 1.960 486