2-溴丁酸乙酯(533-68-6)紅外圖譜(IR1)
分子式:C6H11BrO2
分子量: 195.05
InChI:InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
InChIKey: XIMFCGSNSKXPBO-UHFFFAOYSA-N
Smiles:C(OCC)(=O)C(Br)CC
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Mass
MS-NW-1253
ethyl 2-bromobutyrate
C6H11BrO2 (Mass of molecular ion: 194)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 3.4
26.0 4.0
27.0 26.0
28.0 5.2
29.0 100.0
30.0 2.1
31.0 2.3
32.0 1.0
38.0 1.6
39.0 15.3
40.0 2.8
41.0 95.3
42.0 14.7
43.0 37.0
44.0 1.4
45.0 8.2
55.0 11.8
59.0 1.8
69.0 6.6
70.0 2.5
71.0 1.5
73.0 2.8
87.0 10.1
88.0 1.3
93.0 1.0
115.0 20.1
116.0 1.4
120.0 3.7
121.0 25.7
122.0 5.0
123.0 24.7
124.0 1.2
138.0 4.2
140.0 3.9
149.0 5.3
151.0 5.2
166.0 24.5
167.0 1.4
168.0 24.0
169.0 1.4
194.0 1.0
196.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H11 Br O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl 2-bromobutyrate
|
 |
Assign. Shift(ppm)
A 4.236
B 4.165
C *1 2.11
D *1 2.01
E 1.304
F 1.031
|
Hz ppm Int.
1704.35 4.265 126
1703.13 4.262 123
1700.81 4.256 33
1697.14 4.247 349
1696.04 4.244 340
1690.06 4.229 355
1688.96 4.227 343
1685.18 4.217 36
1682.86 4.211 133
1681.88 4.209 129
1671.75 4.184 201
1664.79 4.166 249
1664.18 4.165 255
1657.35 4.148 205
859.13 2.150 62
852.05 2.132 125
844.85 2.114 183
837.77 2.097 191
830.57 2.079 129
824.10 2.063 45
823.36 2.061 46
816.77 2.044 132
809.33 2.026 197
802.00 2.007 161
795.04 1.990 118
787.60 1.971 69
528.20 1.322 628
521.12 1.304 1000
513.92 1.286 612
419.56 1.050 554
412.23 1.032 918
404.79 1.013 515
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| 1H NMR |
89.56 MHz |
| C6 H11 Br O2
|
0.04 ml : 0.5 ml CDCl3
|
| ethyl 2-bromobutyrate
|
|
Assign. Shift(ppm)
A 4.234
B 4.159
C 2.05
D 1.305
E 1.033
|
Hz ppm Int.
390.06 4.356 113
383.00 4.277 431
379.63 4.239 134
375.88 4.197 504
372.75 4.163 148
372.19 4.156 172
368.81 4.119 163
365.25 4.079 143
200.94 2.244 31
194.06 2.167 52
193.13 2.157 92
191.44 2.138 37
190.69 2.130 96
187.19 2.091 36
186.31 2.081 98
185.63 2.073 112
183.63 2.051 122
183.19 2.046 106
179.88 2.009 38
178.75 1.996 104
176.88 1.975 81
176.06 1.966 102
171.56 1.916 43
169.31 1.891 52
123.69 1.382 485
121.81 1.361 31
116.69 1.303 1000
114.38 1.278 32
109.44 1.222 424
99.25 1.109 292
92.13 1.029 593
84.75 0.947 197