2-甲基丙烯醛(78-85-3)Raman光譜
InChI:InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3
InChIKey: STNJBCKSHOAVAJ-UHFFFAOYSA-N
Smiles:C(=O)C(C)=C
-
Mass
MS-IW-5628
methacrylaldehyde
C4H6O (Mass of molecular ion: 70)
Source Temperature: 200 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.3
18.0 1.0
25.0 1.0
26.0 4.1
27.0 12.1
28.0 5.3
29.0 12.9
31.0 2.2
36.0 1.0
37.0 6.8
38.0 11.0
39.0 74.6
40.0 13.5
41.0 92.2
42.0 22.0
43.0 23.2
44.0 1.8
50.0 2.1
51.0 1.6
52.0 1.0
53.0 3.0
55.0 8.2
57.0 2.3
58.0 5.4
67.0 1.3
69.0 13.5
70.0 100.0
71.0 10.4
77.0 1.1
83.0 1.6
93.0 2.0
97.0 1.5
111.0 31.3
112.0 2.9
140.0 7.5
parameter in cyclohexane
400 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C4 H6 O
|
infinite dilution in cyclohexane
|
| methacrylaldehyde
|
 |
Parameter ppm Hz
D(A) 6.061
D(B) 5.756
D(C) 1.782
D(D) 9.479
J(A,B) 1.05
J(A,C) -1.45
J(A,D) 0.25
J(B,C) -1.05
J(B,D) 0.0
J(C,D) 0.0
DOUGLAS,A.W. & GOLDSTEIN,J.H. J.MOL.SPECTROSC. 16, 1 (1965)
|
Hz ppm Int.
2843.74 9.479 735
1820.93 6.070 68
1819.58 6.065 195
1818.30 6.061 262
1817.09 6.057 199
1815.73 6.052 68
1727.84 5.759 245
1726.78 5.756 345
1725.85 5.753 248
535.87 1.786 712
534.59 1.782 1000
533.45 1.778 723
-
| 1H NMR |
399.65 MHz |
| C4 H6 O
|
0.05 ml : 0.5 ml CDCl3
|
| methacrylaldehyde
|
|
Assign. Shift(ppm)
A 9.563
B 6.310
C 6.012
D 1.841
|
Hz ppm Int.
3822.02 9.564 856
2524.72 6.318 111
2523.19 6.314 282
2521.97 6.311 342
2520.75 6.308 289
2519.23 6.304 123
2404.02 6.016 362
2402.95 6.013 477
2402.04 6.011 345
2400.97 6.008 147
748.44 1.873 22
747.38 1.871 23
746.92 1.869 23
745.85 1.867 23
745.09 1.865 25
737.00 1.845 1000
735.93 1.842 971
734.41 1.838 795