環(huán)氧丙烷(75-56-9)核磁圖(1HNMR)
InChI:InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKey: GOOHAUXETOMSMM-UHFFFAOYSA-N
Smiles:O1CC1C
-
Mass
MS-NW-0785
2-methyloxirane
C3H6O (Mass of molecular ion: 58)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
14.0 3.0
15.0 10.8
25.0 1.7
26.0 27.7
27.0 49.8
28.0 100.0
29.0 36.1
30.0 5.6
31.0 31.6
37.0 1.9
38.0 2.6
39.0 6.2
40.0 1.3
41.0 2.9
42.0 3.6
43.0 37.0
55.0 1.3
57.0 7.8
58.0 81.4
59.0 2.8
90 MHz in CDCl3
parameter neat
-
| 1H NMR |
89.56 MHz |
| C3 H6 O
|
0.04 ml : 0.5 ml CDCl3
|
| 2-methyloxirane
|
 |
Assign. Shift(ppm)
A 2.979
B 2.745
C 2.427
D 1.316
|
Hz ppm Int.
278.50 3.110 32
275.81 3.080 38
274.56 3.066 48
273.25 3.052 93
271.88 3.036 54
270.56 3.021 100
269.31 3.008 132
268.13 2.994 99
266.63 2.978 137
265.44 2.964 106
264.19 2.950 142
263.13 2.939 47
261.50 2.920 145
260.44 2.908 47
259.19 2.895 63
256.50 2.865 63
250.69 2.800 160
250.19 2.794 160
249.63 2.788 67
246.75 2.756 127
246.19 2.749 170
245.63 2.743 244
245.06 2.737 222
244.56 2.731 92
241.69 2.699 162
241.13 2.693 150
240.63 2.687 56
220.94 2.467 228
220.63 2.464 212
218.25 2.437 214
217.94 2.434 200
215.81 2.410 164
215.50 2.407 160
213.19 2.381 148
212.81 2.377 146
120.50 1.346 1000
118.06 1.319 51
115.38 1.289 967
-
| 1H NMR |
300 MHz |
| C3 H6 O
|
neat
|
| 2-methyloxirane
|
|
Parameter ppm Hz
D(A) 2.849
D(B) 2.589
D(C) 2.279
D(D) 1.214
J(A,B) 3.88
J(A,C) 2.57
J(A,D) 5.14
J(B,C) 5.37
J(B,D) 0.52
J(C,D) -0.36
ELLEMAN,D.D. ET AL. J.CHEM.PHYS. 42, 650 (1965)
|
Hz ppm Int.
865.73 2.886 29
863.16 2.877 34
861.82 2.873 42
860.60 2.869 92
859.28 2.864 49
858.03 2.860 100
856.71 2.856 109
855.45 2.851 104
854.15 2.847 113
852.89 2.843 107
851.58 2.839 108
850.34 2.834 49
849.02 2.830 105
847.77 2.826 43
846.45 2.821 39
843.89 2.813 35
781.55 2.605 137
781.15 2.604 138
777.20 2.591 157
776.25 2.587 178
772.30 2.574 141
771.91 2.573 140
687.58 2.292 186
685.03 2.283 184
682.21 2.274 170
679.66 2.266 161
366.76 1.223 1000
361.63 1.205 981