邻甲基苯乙酮(577-16-2)Raman光谱
InChI:InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=CC=C1C)C
-
Mass
MS-NW-3403
2'-methylacetophenone
C9H10O (Mass of molecular ion: 134)
Source Temperature: 290 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 2.2
27.0 2.1
37.0 1.0
38.0 2.4
39.0 12.4
40.0 1.0
41.0 2.6
43.0 13.9
45.5 1.0
50.0 4.6
51.0 7.6
52.0 1.7
53.0 1.0
61.0 1.6
62.0 4.1
63.0 10.7
64.0 3.0
65.0 22.3
66.0 1.7
74.0 1.9
75.0 1.4
76.0 1.0
77.0 4.7
78.0 1.2
79.0 1.3
86.0 1.0
89.0 8.4
90.0 4.4
91.0 92.0
92.0 7.8
103.0 1.6
105.0 1.3
115.0 1.7
119.0 100.0
120.0 9.7
134.0 47.5
135.0 5.1
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C9 H10 O
|
0.05 ml : 0.5 ml CDCl3
|
| 2'-methylacetophenone
|
 |
Assign. Shift(ppm)
A 7.663
B 7.336
C 7.23
D 7.21
E 2.538
F 2.512
|
Hz ppm Int.
3067.38 7.676 109
3066.16 7.673 114
3059.69 7.656 117
3058.35 7.653 123
2941.41 7.360 51
2939.94 7.357 53
2933.96 7.342 128
2932.50 7.338 125
2926.39 7.323 94
2925.05 7.320 89
2896.85 7.249 71
2896.12 7.247 82
2888.55 7.228 125
2883.18 7.215 145
2882.45 7.213 164
2881.84 7.211 152
2875.61 7.196 98
2875.00 7.194 106
2874.39 7.193 94
1014.28 2.538 1000
1004.15 2.513 681
-
| 1H NMR |
89.56 MHz |
| C9 H10 O
|
0.04 ml : 0.5 ml CDCl3
|
| 2'-methylacetophenone
|
|
Assign. Shift(ppm)
A 7.67
B 7.35
C 7.24
D 7.21
E 2.559
F 2.52
|
Hz ppm Int.
690.44 7.710 25
690.06 7.706 24
685.13 7.650 30
682.88 7.625 41
661.56 7.387 25
656.75 7.334 33
655.19 7.316 106
653.06 7.292 99
651.31 7.273 30
650.69 7.266 48
649.81 7.256 58
649.06 7.248 66
648.50 7.241 71
647.81 7.234 64
647.25 7.228 46
643.63 7.187 24
229.19 2.560 1000
226.06 2.525 389