惕各酸甲酯(6622-76-0)Raman光譜
InChI:InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChIKey: YYJWBYNQJLBIGS-SNAWJCMRSA-N
Smiles:C(OC)(=O)/C(/C)=C/C
-
Mass
MS-NW-4266
methyl (E)-2-methyl-2-butenoate
C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
15.0 11.3
26.0 2.7
27.0 21.6
28.0 4.5
29.0 24.9
31.0 1.0
38.0 1.4
39.0 17.6
40.0 1.7
41.0 5.1
43.0 4.9
45.0 1.5
50.0 2.5
51.0 3.7
52.0 1.8
53.0 13.3
54.0 12.6
55.0 100.0
56.0 5.5
59.0 9.4
69.0 1.5
71.0 2.4
81.0 2.1
82.0 11.3
83.0 54.8
84.0 3.4
99.0 14.3
114.0 47.9
115.0 3.4
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C6 H10 O2
|
0.05 ml : 0.5 ml CDCl3
|
| methyl (E)-2-methyl-2-butenoate
|
 |
Assign. Shift(ppm)
A 6.856
B 3.730
C 1.836
D 1.790
|
Hz ppm Int.
2751.59 6.886 34
2750.12 6.882 34
2745.97 6.871 41
2744.51 6.868 103
2743.04 6.864 101
2741.58 6.860 40
2738.89 6.854 42
2737.43 6.850 103
2735.96 6.846 101
2734.50 6.843 39
2730.35 6.832 36
2728.88 6.829 34
1490.72 3.731 1000
736.21 1.843 221
734.99 1.840 458
733.76 1.837 548
732.42 1.833 442
731.20 1.830 212
720.70 1.804 204
719.60 1.801 373
718.38 1.798 326
717.29 1.795 136
713.62 1.786 186
712.52 1.783 364
711.30 1.780 338
710.08 1.777 155
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| 1H NMR |
89.56 MHz |
| C6 H10 O2
|
0.04 ml : 0.5 ml CDCl3
|
| methyl (E)-2-methyl-2-butenoate
|
|
Assign. Shift(ppm)
A 6.86
B 3.730
C 1.828
D 1.80
J(C,D)=1.2HZ
|
Hz ppm Int.
616.63 6.886 25
611.00 6.823 27
335.06 3.742 41
334.06 3.731 969
166.88 1.864 30
165.75 1.851 126
164.56 1.838 178
163.69 1.828 1000
162.19 1.811 33
158.19 1.767 60
157.13 1.755 134
156.00 1.742 94
154.81 1.729 27