三氯乙酸乙酯(515-84-4)紅外圖譜(IR1)
分子式:C4H5Cl3O2
分子量: 191.44
InChI:InChI=1S/C4H5Cl3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey: SJMLNDPIJZBEKY-UHFFFAOYSA-N
Smiles:C(OCC)(=O)C(Cl)(Cl)Cl
-
Mass
MS-IW-6144
ethyl trichloroacetate
C4H5Cl3O2 (Mass of molecular ion: 190)
Source Temperature: 200 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.4
26.0 1.8
27.0 21.8
28.0 4.6
29.0 100.0
30.0 5.1
36.0 1.8
43.0 2.8
44.0 2.9
45.0 2.9
47.0 5.7
49.0 2.3
63.0 3.6
65.0 1.2
73.0 1.6
82.0 9.1
83.0 8.7
84.0 5.8
85.0 5.6
86.0 1.0
99.0 1.3
110.0 3.7
111.0 6.3
112.0 2.5
113.0 4.1
117.0 31.1
119.0 30.0
121.0 9.7
123.0 1.0
127.0 1.1
145.0 1.6
147.0 2.3
149.0 1.3
155.0 6.7
157.0 4.3
parameter neat
400 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C4 H5 Cl3 O2
|
neat
|
| ethyl trichloroacetate
|
 |
Parameter ppm Hz
D(A) 1.399
D(B) 4.415
J(A,B) 7.11
RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)
|
Hz ppm Int.
1335.22 4.451 163
1328.12 4.427 494
1320.99 4.403 502
1313.89 4.380 171
426.77 1.423 507
419.70 1.399 1000
412.60 1.375 491
-
| 1H NMR |
399.65 MHz |
| C4 H5 Cl3 O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl trichloroacetate
|
|
Assign. Shift(ppm)
A 4.439
B 1.419
|
Hz ppm Int.
1785.03 4.467 216
1777.95 4.449 573
1770.75 4.431 590
1763.67 4.414 228
574.46 1.438 598
571.90 1.432 21
567.26 1.420 1000
560.18 1.402 597