双(2-乙基已基)衣康酸酯(2287-83-4)核磁图(1HNMR)
InChI:InChI=1S/C21H38O4/c1-6-10-12-18(8-3)15-24-20(22)14-17(5)21(23)25-16-19(9-4)13-11-7-2/h18-19H,5-16H2,1-4H3
InChIKey: CGNRQCGWXXLTIA-UHFFFAOYSA-N
Smiles:C(OCC(CC)CCCC)(=O)C(=C)CC(OCC(CC)CCCC)=O
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Mass
MS-NW-5327
bis(2-ethylhexyl) methylenesuccinate
C21H38O4 (Mass of molecular ion: 354)
Source Temperature: 280 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
27.0 5.9
28.0 3.7
29.0 16.8
39.0 5.9
40.0 6.6
41.0 31.2
42.0 6.4
43.0 45.6
44.0 1.6
53.0 1.8
54.0 2.0
55.0 24.6
56.0 13.9
57.0 100.0
58.0 4.4
67.0 1.8
68.0 5.9
69.0 12.0
70.0 50.3
71.0 73.6
72.0 4.6
82.0 2.9
83.0 16.6
84.0 9.3
85.0 7.8
86.0 8.1
97.0 1.9
98.0 1.0
99.0 1.2
111.0 1.9
112.0 32.8
113.0 53.0
114.0 6.1
126.0 4.6
127.0 1.0
130.0 2.7
131.0 30.6
132.0 2.4
144.0 2.9
225.0 1.7
243.0 1.9
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C21 H38 O4
|
0.05 ml : 0.5 ml CDCl3
|
| bis(2-ethylhexyl) methylenesuccinate
|
 |
Assign. Shift(ppm)
A 6.316
B 5.685
C *1 4.09
D *1 4.07
E *2 4.02
F *2 4.00
G 3.343
J *3 1.61
K *3 1.56
L 1.42 to 1.26
M *4 0.90
N *4 0.89
90MHZ : HSP-02-564
J(A,B)=1.1HZ
J(B,G)=-1.0HZ
|
Hz ppm Int.
2524.78 6.318 270
2523.80 6.316 278
2272.71 5.687 243
2271.48 5.684 248
1646.61 4.121 43
1640.99 4.107 53
1635.62 4.093 222
1631.35 4.082 250
1630.13 4.079 256
1625.61 4.068 223
1620.48 4.055 52
1617.43 4.048 42
1614.62 4.041 51
1611.69 4.033 43
1606.45 4.020 208
1603.03 4.012 225
1600.83 4.006 232
1597.05 3.997 216
1592.16 3.984 45
1586.18 3.969 39
1336.67 3.345 516
1336.18 3.344 519
650.88 1.629 51
644.90 1.614 74
638.92 1.599 69
632.81 1.584 54
630.74 1.579 58
624.76 1.564 72
618.65 1.548 60
612.79 1.534 32
566.53 1.418 59
559.08 1.399 184
551.64 1.381 275
544.31 1.362 296
536.62 1.343 299
532.47 1.333 194
529.17 1.325 349
525.27 1.315 363
523.19 1.310 533
519.65 1.301 532
517.21 1.295 455
510.99 1.279 619
508.91 1.274 505
374.27 0.937 45
368.53 0.923 447
361.21 0.904 1000
359.74 0.901 820
357.06 0.894 691
352.29 0.882 926
344.85 0.863 349
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| 1H NMR |
89.56 MHz |
| C21 H38 O4
|
0.04 ml : 0.5 ml CDCl3
|
| bis(2-ethylhexyl) methylenesuccinate
|
|
Assign. Shift(ppm)
A 6.311
B 5.678
C *1 4.07
D *1 4.02
E 3.339
F 1.69 to 1.47
G 1.30
J 0.89
400MHZ : HSP-42-793
|
Hz ppm Int.
565.81 6.318 246
564.69 6.306 256
510.31 5.698 78
509.25 5.687 236
508.06 5.673 239
506.94 5.661 89
367.88 4.108 374
362.56 4.049 456
361.50 4.037 387
356.13 3.977 357
299.56 3.345 458
298.69 3.336 453
146.44 1.636 48
145.44 1.624 52
145.06 1.620 51
144.75 1.617 53
144.44 1.613 53
143.44 1.602 51
142.00 1.586 58
140.75 1.572 66
140.19 1.566 70
139.50 1.558 72
139.13 1.554 72
138.00 1.541 80
137.50 1.536 82
136.88 1.529 84
136.00 1.519 80
134.38 1.501 96
134.00 1.497 97
133.50 1.491 96
131.94 1.474 106
129.88 1.451 201
128.56 1.436 133
126.44 1.412 217
124.44 1.390 196
122.19 1.365 287
116.88 1.306 866
114.94 1.284 1000
107.13 1.197 172
104.38 1.166 79
102.56 1.146 59
101.63 1.135 55
101.06 1.129 52
100.56 1.123 51
100.13 1.119 52
99.56 1.112 47
99.38 1.110 47
98.13 1.096 39
92.81 1.037 50
92.50 1.033 51
92.19 1.030 51
91.38 1.021 54
90.88 1.015 56
86.44 0.966 481
85.38 0.954 478
82.69 0.924 259
80.69 0.901 983
78.81 0.880 860
74.06 0.827 254
73.19 0.818 270
71.44 0.798 203
69.50 0.777 96