4-羥基-3-甲基苯乙酮(876-02-8)紅外圖譜(IR1)
InChI:InChI=1S/C9H10O2/c1-6-5-8(7(2)10)3-4-9(6)11/h3-5,11H,1-2H3
InChIKey: LXBHHIZIQVZGFN-UHFFFAOYSA-N
Smiles:C(=O)(C1=CC=C(O)C(C)=C1)C
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Mass
MS-NW-6576
4'-hydroxy-3'-methylacetophenone
C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 240 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 1.6
18.0 3.6
27.0 2.8
28.0 1.9
38.0 1.5
39.0 6.1
43.0 8.9
44.0 1.7
44.5 1.0
50.0 3.2
51.0 6.5
52.0 3.4
53.0 4.5
55.0 1.3
62.0 1.5
63.0 2.9
65.0 1.2
67.0 1.6
74.0 1.3
77.0 18.6
78.0 4.7
79.0 10.9
91.0 1.6
105.0 1.2
106.0 2.2
107.0 20.5
108.0 3.2
121.0 1.4
131.0 1.3
132.0 3.2
134.0 1.1
135.0 100.0
136.0 9.6
137.0 1.0
149.0 1.1
150.0 42.0
151.0 4.4
90 MHz in CDCl3
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C9 H10 O2
|
0.041 g : 0.5 ml CDCl3
|
| 4'-hydroxy-3'-methylacetophenone
|
 |
Assign. Shift(ppm)
A 7.80
B 7.74
C 7.38
D 6.90
E 2.575
F 2.303
|
Hz ppm Int.
698.55 7.800 133
698.03 7.794 160
690.60 7.712 51
690.17 7.707 51
688.38 7.687 35
687.78 7.680 33
660.18 7.372 44
621.64 6.942 62
621.22 6.937 62
613.35 6.849 55
230.63 2.576 1000
227.98 2.546 23
206.27 2.304 418
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| 1H NMR |
399.65 MHz |
| C9 H10 O2
|
0.038 g : 0.5 ml DMSO-d6
|
| 4'-hydroxy-3'-methylacetophenone
|
|
Assign. Shift(ppm)
A 10.3
B 7.735
C 7.686
D 6.880
E 2.473
F 2.179
J(B,C)=2.0HZ
J(C,D)=8.4HZ
90MHZ:HSP-03-331 IN CDCL3
|
Hz ppm Int.
4112.39 10.290 51
3092.19 7.738 126
3090.67 7.734 149
3090.21 7.733 149
3077.39 7.701 88
3075.10 7.695 73
3069.00 7.680 89
3066.71 7.674 80
2754.06 6.892 163
2745.67 6.871 157
988.46 2.474 1000
870.97 2.180 686