環(huán)氧氯丙烷(106-89-8)核磁圖(13CNMR)
InChI:InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
InChIKey: BRLQWZUYTZBJKN-UHFFFAOYSA-N
Smiles:O1CC1CCl
-
Mass
MS-NW-0864
2-(chloromethyl)oxirane
C3H5ClO (Mass of molecular ion: 92)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
14.0 2.0
15.0 7.3
25.0 1.2
26.0 9.6
27.0 47.1
28.0 18.2
29.0 26.9
30.0 2.3
31.0 25.0
36.0 2.1
37.0 1.4
38.0 1.7
39.0 3.3
42.0 8.3
43.0 4.2
48.0 1.1
49.0 26.1
51.0 8.6
57.0 100.0
58.0 3.3
60.0 1.1
61.0 4.2
62.0 16.6
63.0 2.9
64.0 5.5
parameter neat
parameter in benzene
90 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C3 H5 Cl O
|
neat
|
| 2-(chloromethyl)oxirane
|
 |
Parameter ppm Hz
D(A) 3.20
D(B) 2.84
D(C) 2.65
D(D) *1 3.47
D(E) *1 3.74
J(A,B) 4.0
J(A,C) 2.4
J(A,D) 4.0
J(A,E) 6.6
J(B,C) 5.0
J(B,D) 0.1
J(B,E) 0.6
J(C,D) -0.2
J(C,E) -0.1
J(D,E) -11.7
REILLY,C.A. & SWALEN,J.D. J.CHEM.PHYS. 35, 1522 (1961)
|
Hz ppm Int.
1131.87 3.773 479
1131.41 3.771 482
1125.28 3.751 521
1124.80 3.749 522
1120.16 3.734 643
1119.71 3.732 644
1113.57 3.712 695
1113.12 3.710 696
1048.48 3.495 914
1044.49 3.482 1000
1036.78 3.456 682
1032.79 3.443 756
968.42 3.228 249
966.02 3.220 280
964.44 3.215 497
961.98 3.207 685
960.43 3.201 316
959.44 3.198 310
957.90 3.193 654
955.44 3.185 471
953.85 3.179 248
951.45 3.171 231
856.80 2.856 564
856.34 2.854 565
851.93 2.840 889
847.81 2.826 624
847.35 2.824 618
798.59 2.662 944
796.19 2.654 934
793.58 2.645 812
791.19 2.637 773
-
| 1H NMR |
300 MHz |
| C3 H5 Cl O
|
10 mol% in benzene
|
| 2-(chloromethyl)oxirane
|
|
Parameter ppm Hz
D(A) 2.674
D(B) 2.218
D(C) 2.009
D(D) *1 2.964
D(E) *1 2.962
J(A,B) 3.85
J(A,C) 2.39
J(A,D) 4.75
J(A,E) 6.00
J(B,C) 5.04
J(B,D) 0.06
J(B,E) 0.56
J(C,D) -0.27
J(C,E) -0.35
J(D,E) -11.63
MACDONALD,C.J. & SCHAEFER,T. CAN.J.CHEM. 48, 1033 (1970)
|
Hz ppm Int.
891.67 2.972 871
886.31 2.954 1000
810.55 2.702 86
808.17 2.694 94
806.70 2.689 104
805.14 2.684 148
804.35 2.681 127
802.79 2.676 147
801.35 2.671 157
799.77 2.666 104
798.97 2.663 161
797.44 2.658 82
795.97 2.653 77
793.59 2.645 73
669.92 2.233 228
666.03 2.220 247
664.90 2.216 292
661.04 2.203 251
606.31 2.021 268
603.93 2.013 269
601.27 2.004 235
598.89 1.996 225
-
| 1H NMR |
89.56 MHz |
| C3 H5 Cl O
|
0.04 ml : 0.5 ml CDCl3
|
| 2-(chloromethyl)oxirane
|
|
Assign. Shift(ppm)
A 3.575
B 3.238
C 2.888
D 2.687
|
Hz ppm Int.
323.06 3.608 473
317.75 3.548 1000
298.00 3.328 112
295.56 3.301 115
294.19 3.285 136
293.13 3.274 96
292.25 3.264 85
291.75 3.258 148
290.69 3.246 107
289.88 3.237 84
289.25 3.230 130
288.50 3.222 96
287.44 3.210 64
286.75 3.202 135
286.13 3.195 101
285.00 3.183 65
283.56 3.167 77
281.13 3.140 85
263.25 2.940 200
259.38 2.897 154
258.44 2.886 331
254.56 2.843 234
243.69 2.721 324
241.25 2.694 313
238.88 2.668 204
236.44 2.641 186