氯乙酸乙酯(105-39-5)Raman光譜
InChI:InChI=1S/C4H7ClO2/c1-2-7-4(6)3-5/h2-3H2,1H3
InChIKey: VEUUMBGHMNQHGO-UHFFFAOYSA-N
Smiles:C(OCC)(=O)CCl
-
Mass
MS-NW-2176
ethyl chloroacetate
C4H7ClO2 (Mass of molecular ion: 122)
Source Temperature: 270 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
14.0 2.2
15.0 2.4
26.0 2.1
27.0 18.5
28.0 20.6
29.0 100.0
30.0 2.2
31.0 1.8
42.0 8.1
43.0 3.2
45.0 4.4
48.0 1.0
49.0 12.7
51.0 4.2
73.0 1.5
77.0 26.9
79.0 8.8
94.0 3.2
95.0 1.6
96.0 1.1
107.0 1.7
parameter neat
parameter in CDCl3
-
| 1H NMR |
300 MHz |
| C4 H7 Cl O2
|
neat
|
| ethyl chloroacetate
|
 |
Parameter ppm Hz
D(A) 1.266
D(B) 4.194
J(A,B) 7.09
D(C) 4.067
RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)
|
Hz ppm Int.
1268.88 4.230 122
1261.79 4.206 368
1254.72 4.182 375
1247.62 4.159 128
1220.10 4.067 1000
386.86 1.290 379
379.79 1.266 748
372.69 1.242 365
-
| 1H NMR |
300 MHz |
| C4 H7 Cl O2
|
10.8 mol% in CDCl3
|
| ethyl chloroacetate
|
|
Parameter ppm Hz
D(A) 1.310
D(B) 4.252
J(A,B) 7.15
D(C) 4.062
|
Hz ppm Int.
1286.39 4.288 122
1279.24 4.264 369
1272.09 4.240 375
1264.94 4.216 128
1218.60 4.062 1000
400.12 1.334 379
393.00 1.310 748
385.85 1.286 367