3-甲基-2-戊酮(565-61-7)Raman光譜
InChI:InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChIKey: UIHCLUNTQKBZGK-UHFFFAOYSA-N
Smiles:CC(=O)C(C)CC
-
Mass
MS-IW-5183
3-methyl-2-pentanone
C6H12O (Mass of molecular ion: 100)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.9
26.0 1.0
27.0 8.0
28.0 2.2
29.0 33.6
39.0 7.1
41.0 41.8
42.0 4.0
43.0 100.0
44.0 4.4
45.0 2.5
53.0 1.6
55.0 5.1
56.0 23.5
57.0 67.9
58.0 3.3
67.0 1.6
71.0 2.4
72.0 50.7
73.0 2.2
85.0 8.3
100.0 17.6
101.0 2.4
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C6 H12 O
|
0.05 ml : 0.5 ml CDCl3
|
| 3-methyl-2-pentanone
|
 |
Assign. Shift(ppm)
A 2.458
B 2.138
C *1 1.688
D *1 1.413
E 1.081
F 0.889
|
Hz ppm Int.
992.80 2.485 65
985.96 2.468 122
979.13 2.450 124
972.17 2.433 67
854.61 2.139 1000
689.94 1.727 32
689.21 1.725 68
682.50 1.708 77
681.76 1.706 76
675.42 1.691 99
668.70 1.674 90
668.09 1.672 93
661.25 1.655 81
660.64 1.654 41
653.93 1.637 30
577.76 1.446 71
570.92 1.429 86
570.31 1.428 80
563.96 1.412 91
557.25 1.395 67
556.52 1.393 73
549.80 1.376 57
435.42 1.090 779
432.98 1.084 41
428.47 1.073 755
426.03 1.067 49
362.43 0.907 429
354.98 0.889 705
352.54 0.883 41
347.53 0.870 376
345.09 0.864 30
-
| 1H NMR |
89.56 MHz |
| C6 H12 O
|
0.04 ml : 0.5 ml CDCl3
|
| 3-methyl-2-pentanone
|
|
Assign. Shift(ppm)
A 2.43
B 2.133
C *1 1.61
D *1 1.40
E 1.082
F 0.89
|
Hz ppm Int.
222.94 2.490 44
216.25 2.415 51
209.38 2.338 32
191.25 2.136 1000
190.88 2.132 965
152.94 1.708 46
146.44 1.636 48
145.38 1.624 61
138.81 1.550 64
138.44 1.546 69
131.25 1.466 53
124.44 1.390 59
117.94 1.317 35
100.06 1.118 562
93.19 1.041 479
87.13 0.973 95
86.38 0.965 167
85.63 0.957 115
78.88 0.881 356
72.63 0.811 50
71.75 0.802 95
70.56 0.788 61