3-氯丙酸乙酯(623-71-2)紅外圖譜(IR1)
InChI:InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3
InChIKey: ZCLGVXACCAZJOX-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCCl
-
Mass
MS-NW-5479
ethyl 3-chloropropionate
C5H9ClO2 (Mass of molecular ion: 136)
Source Temperature: 250 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
14.0 1.4
15.0 4.0
26.0 10.2
27.0 66.5
28.0 44.0
29.0 94.3
30.0 2.3
31.0 3.7
36.0 1.8
41.0 4.5
42.0 3.2
43.0 6.6
44.0 1.6
45.0 34.8
46.0 1.1
49.0 2.4
55.0 11.2
56.0 2.6
61.0 2.2
62.0 5.0
63.0 72.9
64.0 4.6
65.0 23.6
66.0 1.1
73.0 38.0
74.0 1.5
90.0 1.3
91.0 100.0
92.0 3.8
93.0 32.0
94.0 1.2
101.0 37.0
102.0 2.2
108.0 23.2
109.0 52.7
110.0 9.3
111.0 16.7
121.0 2.8
136.0 2.1
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C5 H9 Cl O2
|
0.04 ml : 0.5 ml CDCl3
|
| ethyl 3-chloropropionate
|
 |
Assign. Shift(ppm)
A 4.187
B 3.753
C 2.787
D 1.281
|
Hz ppm Int.
386.13 4.312 108
378.88 4.231 356
371.75 4.151 374
364.69 4.073 128
343.69 3.838 189
343.19 3.832 180
336.94 3.763 381
336.50 3.758 500
330.25 3.688 268
329.81 3.683 244
255.69 2.855 233
249.13 2.782 397
242.38 2.707 157
121.69 1.359 474
114.56 1.280 1000
112.38 1.255 24
107.44 1.200 414
-
| 1H NMR |
399.65 MHz |
| C5 H9 Cl O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl 3-chloropropionate
|
|
Assign. Shift(ppm)
A 4.188
B 3.764
C 2.788
D 1.281
90MHZ:HSP-03-335
|
Hz ppm Int.
1684.69 4.216 211
1677.61 4.198 541
1670.41 4.180 538
1663.21 4.162 214
1511.11 3.782 443
1504.39 3.765 757
1500.12 3.754 29
1497.68 3.748 454
1121.09 2.806 410
1114.38 2.789 666
1110.72 2.780 32
1107.67 2.772 374
523.32 1.310 22
519.17 1.300 655
512.08 1.282 1000
507.69 1.271 33
504.76 1.264 613
500.61 1.253 20