(-)-DIBUTYL-D-TARTRATE(62563-15-9) 1H NMR
Molecular FormulaC12H22O6
Molecular Weight262.3
InChIInChI=1S/C12H22O6/c1-3-5-7-17-11(15)9(13)10(14)12(16)18-8-6-4-2/h9-10,13-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKey PCYQQSKDZQTOQG-UWVGGRQHSA-N
SmilesC(OCCCC)(=O)[C@@H](O)[C@H](O)C(OCCCC)=O
400 MHz in CDCl3
90 MHz in CDCl3
-

1H NMR |
399.65 MHz |
C12 H22 O6
|
0.05 ml : 0.5 ml CDCl3
|
dibutyl D-tartrate
|
 |
Assign. Shift(ppm)
A 4.544
B *1 4.27
C *1 4.25
D 3.50
E 1.673
F 1.405
G 0.944
J(B,C)=10.7HZ. J(E,B)=J(E,C)=6.7HZ.
|
Hz ppm Int.
1816.16 4.545 569
1713.62 4.288 47
1709.59 4.278 148
1707.03 4.272 171
1702.88 4.261 298
1700.32 4.255 307
1696.17 4.245 175
1693.73 4.239 155
1689.58 4.228 44
1398.68 3.500 67
683.47 1.711 66
676.51 1.693 168
673.83 1.687 66
669.43 1.676 209
667.24 1.670 128
661.62 1.656 196
654.91 1.639 88
580.32 1.453 45
572.88 1.434 141
567.14 1.420 86
565.31 1.415 209
559.81 1.401 92
557.74 1.396 219
552.49 1.383 47
550.42 1.378 141
543.09 1.359 43
384.64 0.963 506
377.20 0.944 1000
369.87 0.926 465
-

1H NMR |
89.56 MHz |
C12 H22 O6
|
9.8 mol% in CDCl3
|
dibutyl D-tartrate
|
 |
Assign. Shift(ppm)
A 0.95
B 1.38
C 1.64
D 3.65
E 4.25
F 4.540
|
Hz ppm Int.
406.56 4.540 1000
387.13 4.323 213
380.75 4.252 546
374.31 4.180 313
326.63 3.648 779
158.50 1.770 52
156.81 1.751 83
154.19 1.722 56
152.75 1.706 48
150.31 1.679 166
148.19 1.655 111
144.13 1.610 157
143.25 1.600 173
140.25 1.566 85
137.63 1.537 113
136.81 1.528 115
135.81 1.517 134
135.25 1.511 128
133.63 1.493 52
131.13 1.465 99
129.50 1.446 137
127.81 1.428 142
126.19 1.409 58
123.88 1.384 118
121.00 1.352 135
119.56 1.335 72
117.50 1.312 56
114.50 1.279 120
113.38 1.266 67
107.94 1.206 56
90.69 1.013 337
86.88 0.971 48
84.31 0.942 691
82.81 0.925 263
78.00 0.871 114
76.88 0.859 145
74.94 0.837 78