溴乙酸乙酯(105-36-2)質(zhì)譜(MS)
InChI:InChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey: PQJJJMRNHATNKG-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CBr
-
Mass
MS-IW-3417
ethyl bromoacetate
C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 210 °C
Sample Temperature: 160 °C
Reservoir, 75 eV
14.0 6.1
15.0 6.3
26.0 7.1
27.0 49.8
28.0 57.8
29.0 100.0
30.0 5.6
31.0 4.6
41.0 9.5
42.0 40.1
43.0 57.2
44.0 2.5
45.0 21.5
59.0 1.8
60.0 11.6
73.0 10.3
77.0 2.4
79.0 3.6
80.0 2.4
81.0 3.4
82.0 2.3
87.0 18.4
91.0 2.0
92.0 3.8
93.0 40.6
94.0 19.3
95.0 38.0
96.0 15.3
107.0 10.6
109.0 10.4
120.0 4.9
121.0 98.7
122.0 7.0
123.0 96.0
124.0 2.3
138.0 46.2
139.0 11.9
140.0 45.5
141.0 11.8
151.0 2.7
153.0 2.5
166.0 29.9
167.0 2.0
168.0 29.2
169.0 1.6
parameter neat
parameter in CDCl3
-
| 1H NMR |
300 MHz |
| C4 H7 Br O2
|
neat
|
| ethyl bromoacetate
|
 |
Parameter ppm Hz
D(A) 1.267
D(B) 4.186
J(A,B) 7.11
D(C) 3.870
RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)
|
Hz ppm Int.
1266.52 4.222 122
1259.42 4.198 369
1252.30 4.174 375
1245.20 4.151 128
1161.01 3.870 1000
387.19 1.291 377
380.10 1.267 748
373.00 1.243 367
-
| 1H NMR |
300 MHz |
| C4 H7 Br O2
|
10.5 mol% in CDCl3
|
| ethyl bromoacetate
|
|
Parameter ppm Hz
D(A) 1.305
D(B) 4.237
J(A,B) 7.13
D(C) 3.837
|
Hz ppm Int.
1281.86 4.273 122
1274.71 4.249 367
1267.59 4.225 375
1260.47 4.202 128
1151.10 3.837 1000
398.60 1.329 379
391.51 1.305 748
384.36 1.281 367