二苄基马来酸酯(15014-25-2)质谱(MS)
InChI:InChI=1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey: RYFCSKVXWRJEOB-UHFFFAOYSA-N
Smiles:C(OCC1=CC=CC=C1)(=O)CC(OCC1=CC=CC=C1)=O
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Mass
MS-NW-6457
dibenzyl malonate
C17H16O4 (Mass of molecular ion: 284)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.1
27.0 1.1
28.0 1.1
39.0 4.5
41.0 1.3
42.0 1.6
43.0 3.7
44.0 2.3
50.0 1.8
51.0 5.1
52.0 1.5
63.0 2.2
65.0 8.9
77.0 8.7
78.0 2.3
79.0 16.8
80.0 1.5
87.0 6.5
89.0 2.9
90.0 5.6
91.0 68.3
92.0 11.2
105.0 2.4
106.0 1.1
107.0 100.0
108.0 22.3
109.0 1.6
118.0 2.8
150.0 1.2
180.0 4.2
193.0 12.3
194.0 1.5
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C17 H16 O4
|
0.05 ml : 0.5 ml CDCl3
|
| dibenzyl malonate
|
 |
Assign. Shift(ppm)
A 7.50
B 5.332
C 3.618
|
Hz ppm Int.
671.63 7.500 1000
477.56 5.333 362
324.06 3.619 259
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| 1H NMR |
399.65 MHz |
| C17 H16 O4
|
0.05 ml : 0.5 ml CDCl3
|
| dibenzyl malonate
|
|
Assign. Shift(ppm)
A 7.30
B 5.131
C 3.426
|
Hz ppm Int.
2931.88 7.337 36
2931.15 7.335 39
2930.79 7.334 38
2929.93 7.332 47
2928.71 7.329 57
2928.22 7.327 55
2925.78 7.321 115
2923.83 7.316 80
2922.49 7.313 95
2920.41 7.308 245
2918.58 7.303 323
2916.87 7.299 1000
2916.14 7.297 924
2910.89 7.284 124
2910.16 7.282 102
2908.69 7.279 108
2905.03 7.269 34
2904.54 7.268 34
2902.83 7.264 36
2050.42 5.131 778
1369.38 3.427 626