氯甲酸氯乙酯(627-11-2)核磁圖(13CNMR)
分子式:C3H4Cl2O2
分子量: 142.97
InChI:InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
InChIKey: SVDDJQGVOFZBNX-UHFFFAOYSA-N
Smiles:C(Cl)(OCCCl)=O
-
Mass
MS-NW-7376
2-chloroethyl chloroformate
C3H4Cl2O2 (Mass of molecular ion: 142)
Source Temperature: 220 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 4.6
27.0 39.1
28.0 2.6
29.0 5.1
30.0 3.1
31.0 2.7
35.0 3.4
36.0 1.6
37.0 1.2
42.0 1.2
43.0 1.6
44.0 4.7
45.0 1.0
47.0 1.1
48.0 1.3
49.0 8.5
50.0 1.9
51.0 3.2
61.0 2.3
62.0 93.9
63.0 100.0
64.0 31.8
65.0 33.0
77.0 4.0
79.0 1.7
81.0 1.1
93.0 53.7
94.0 1.4
95.0 17.5
107.0 1.6
parameter in CDCl3
parameter neat
-
| 1H NMR |
300 MHz |
| C3 H4 Cl2 O2
|
0.05 ml : 0.5 ml CDCl3
|
| 2-chloroethyl chloroformate
|
 |
Parameter ppm Hz
D(A) 4.552
D(B) 3.760
J(A,B) 5.62
|
Hz ppm Int.
1371.29 4.571 477
1365.67 4.552 1000
1360.06 4.534 526
1133.55 3.778 526
1127.94 3.760 998
1122.32 3.741 479
-
| 1H NMR |
300 MHz |
| C3 H4 Cl2 O2
|
neat
|
| 2-chloroethyl chloroformate
|
|
Parameter ppm Hz
D(A) 3.77
D(B) 4.53
J(A,A') -11.80
J(A,B) 6.62
J(A,B') 4.04
J(A',B) 4.04
J(A',B') 6.62
J(B,B') -12.38
HIRST,R.C. & GRANT,D.M. J.CHEM.PHYS. 40, 1909 (1964)
J(A,A') AND J(B,B') ARE EXCHANGEABLE.
|
Hz ppm Int.
1364.40 4.548 886
1359.99 4.533 500
1359.13 4.530 997
1357.98 4.527 459
1353.75 4.512 975
1136.26 3.788 975
1132.03 3.773 459
1130.88 3.770 1000
1130.00 3.767 499
1125.61 3.752 886