5-溴戊酸乙酯(14660-52-7)紅外圖譜(IR1)
分子式:C7H13BrO2
分子量: 209.08
InChI:InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3
InChIKey: AFRWBGJRWRHQOV-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCCCBr
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Mass
MS-NW-7522
ethyl 5-bromovalerate
C7H13BrO2 (Mass of molecular ion: 208)
Source Temperature: 250 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 2.3
26.0 3.5
27.0 28.9
28.0 12.4
29.0 59.3
30.0 1.7
31.0 3.5
39.0 9.8
40.0 1.5
41.0 17.0
42.0 4.6
43.0 13.1
44.0 1.0
45.0 12.7
53.0 3.2
54.0 2.7
55.0 80.1
56.0 8.2
57.0 4.5
58.0 1.0
59.0 10.5
60.0 1.6
69.0 1.4
73.0 18.4
74.0 2.7
83.0 23.1
84.0 1.4
87.0 2.9
93.0 1.1
99.0 1.0
100.0 1.0
101.0 100.0
102.0 6.9
107.0 2.7
108.0 1.2
109.0 2.5
115.0 2.2
129.0 22.1
130.0 2.0
135.0 15.5
137.0 14.6
163.0 17.0
164.0 1.6
165.0 16.3
180.0 1.7
182.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H13 Br O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl 5-bromovalerate
|
 |
Assign. Shift(ppm)
A 4.136
B 3.422
C 2.342
D 1.91
E 1.79
F 1.261
|
Hz ppm Int.
1663.57 4.163 180
1656.49 4.145 471
1649.29 4.127 474
1642.09 4.109 172
1377.20 3.447 37
1374.39 3.439 341
1370.73 3.430 61
1367.92 3.423 602
1364.01 3.414 34
1361.21 3.407 329
943.48 2.361 264
939.58 2.352 36
936.16 2.343 466
928.83 2.325 290
776.61 1.944 49
775.63 1.941 45
770.14 1.928 116
769.41 1.926 101
768.92 1.924 107
766.11 1.917 53
763.06 1.910 142
761.72 1.906 125
760.62 1.904 91
759.40 1.901 82
756.71 1.894 74
754.76 1.889 163
754.15 1.888 151
752.93 1.884 50
748.17 1.873 81
727.42 1.821 66
726.56 1.818 88
722.29 1.808 57
719.60 1.801 177
718.38 1.798 95
714.97 1.789 85
712.52 1.783 176
711.30 1.780 148
707.52 1.771 50
705.20 1.765 99
703.98 1.762 95
698.12 1.747 34
696.78 1.744 35
516.85 1.294 32
511.23 1.280 587
504.15 1.262 1000
501.34 1.255 50
496.95 1.244 566
494.26 1.237 57
-
| 1H NMR |
89.56 MHz |
| C7 H13 Br O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl 5-bromovalerate
|
|
Assign. Shift(ppm)
A 4.13
B 3.41
C 2.33
D 1.89
E 1.78
F 1.253
|
Hz ppm Int.
380.88 4.253 121
373.75 4.174 390
370.81 4.141 32
370.38 4.136 32
366.63 4.094 412
359.50 4.015 146
312.63 3.491 116
311.00 3.473 69
308.13 3.441 106
306.25 3.420 423
301.56 3.368 89
299.94 3.350 193
216.31 2.416 106
213.88 2.389 48
212.69 2.375 50
209.56 2.340 272
203.25 2.270 140
179.25 2.002 37
177.44 1.982 53
175.00 1.954 62
174.25 1.946 48
172.31 1.924 107
170.63 1.906 134
168.31 1.880 263
165.25 1.846 238
164.13 1.833 218
163.13 1.822 203
161.69 1.806 228
159.81 1.785 127
157.31 1.757 125
153.88 1.719 60
153.31 1.712 64
151.31 1.690 58
150.19 1.677 42
149.69 1.672 43
149.06 1.665 44
147.94 1.652 34
146.88 1.641 30
119.75 1.338 485
116.44 1.301 45
112.69 1.259 1000
107.69 1.203 53
105.50 1.178 442
102.56 1.146 40