2-乙基丁酸乙酯(2983-38-2)質(zhì)譜(MS)
InChI:InChI=1S/C8H16O2/c1-4-7(5-2)8(9)10-6-3/h7H,4-6H2,1-3H3
InChIKey: MJGSLNIPTRPYJV-UHFFFAOYSA-N
Smiles:C(OCC)(=O)C(CC)CC
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Mass
MS-NW-0975
ethyl 2-ethylbutyrate
C8H16O2 (Mass of molecular ion: 144)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.3
26.0 1.7
27.0 19.9
28.0 3.5
29.0 47.6
30.0 1.0
31.0 1.5
39.0 9.5
40.0 1.4
41.0 20.3
42.0 6.6
43.0 100.0
44.0 3.4
45.0 7.8
53.0 1.5
55.0 15.3
56.0 1.2
57.0 1.2
59.0 1.7
69.0 3.3
70.0 7.2
71.0 67.2
72.0 3.9
73.0 16.1
74.0 1.3
87.0 15.1
88.0 13.3
89.0 1.7
99.0 26.5
100.0 1.7
101.0 24.5
102.0 2.4
115.0 11.4
116.0 50.1
117.0 5.2
129.0 2.3
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H16 O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl 2-ethylbutyrate
|
 |
Assign. Shift(ppm)
A 4.149
B 2.186
C *1 1.62
D *1 1.51
E 1.262
F 0.895
|
Hz ppm Int.
1668.82 4.176 179
1661.74 4.158 483
1654.54 4.140 469
1647.46 4.123 188
883.06 2.210 57
879.88 2.202 60
877.56 2.196 40
874.39 2.188 114
871.09 2.180 41
868.90 2.175 67
865.60 2.166 65
860.23 2.153 35
664.31 1.663 74
663.21 1.660 34
658.08 1.647 59
656.86 1.644 90
655.64 1.641 77
650.63 1.628 136
649.54 1.626 92
648.19 1.622 86
643.19 1.610 144
641.97 1.607 133
635.74 1.591 66
634.52 1.588 123
627.20 1.570 48
624.76 1.564 45
619.26 1.550 50
617.31 1.545 123
611.82 1.531 131
609.86 1.526 137
604.25 1.512 151
602.42 1.508 71
598.14 1.497 76
596.19 1.492 93
590.70 1.479 69
588.75 1.474 35
511.60 1.281 512
509.03 1.274 40
508.79 1.274 40
504.52 1.263 811
497.31 1.245 495
364.87 0.913 646
357.54 0.895 1000
349.98 0.876 578
343.87 0.861 31
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| 1H NMR |
89.56 MHz |
| C8 H16 O2
|
0.04 ml : 0.5 ml CDCl3
|
| ethyl 2-ethylbutyrate
|
|
Assign. Shift(ppm)
A 4.144
B 2.173
C 1.57
D 1.262
E 0.90
|
Hz ppm Int.
382.19 4.268 121
374.94 4.187 400
367.81 4.107 425
360.88 4.030 140
196.69 2.197 100
190.19 2.124 72
149.50 1.670 123
146.38 1.635 89
145.44 1.624 124
143.50 1.603 95
141.88 1.585 218
138.94 1.552 156
138.31 1.545 161
134.38 1.501 150
132.00 1.474 180
127.00 1.419 81
125.63 1.403 88
119.94 1.340 451
112.88 1.261 965
105.69 1.181 399
86.88 0.971 518
79.94 0.893 1000
72.38 0.809 272
71.25 0.796 159