2'-甲基乙酰乙酰苯胺(93-68-5)質(zhì)譜(MS)
分子式:C11H13NO2
分子量: 191.23
InChI:InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey: TVZIWRMELPWPPR-UHFFFAOYSA-N
Smiles:C(NC1=CC=CC=C1C)(=O)CC(=O)C
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Mass
MS-NW-0314
2'-methylacetoacetanilide
C11H13NO2 (Mass of molecular ion: 191)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 1.0
27.0 1.6
39.0 3.3
43.0 24.4
50.0 1.1
51.0 2.9
52.0 2.0
53.0 1.3
58.0 2.2
63.0 1.2
65.0 2.7
77.0 7.6
78.0 3.7
79.0 3.6
85.0 4.0
89.0 1.4
90.0 1.4
91.0 4.3
104.0 3.4
105.0 3.1
106.0 34.4
107.0 100.0
108.0 8.4
132.0 1.0
133.0 19.3
134.0 3.5
191.0 35.3
192.0 4.5
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C11 H13 N O2
|
0.042 g : 0.5 ml CDCl3
|
| 2'-methylacetoacetanilide
|
 |
Assign. Shift(ppm)
A 9.1
B 7.89
C 7.34 to 6.91
D 3.604
E 2.313
|
Hz ppm Int.
711.88 7.949 33
704.06 7.862 34
703.25 7.853 28
702.19 7.841 31
646.88 7.223 38
646.25 7.216 37
644.19 7.193 61
641.69 7.165 75
641.25 7.161 72
639.88 7.145 71
639.25 7.138 77
637.88 7.123 129
635.75 7.099 88
631.31 7.050 23
629.69 7.031 23
322.75 3.604 269
207.13 2.313 1000
202.31 2.259 28
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| 1H NMR |
399.65 MHz |
| C11 H13 N O2
|
0.040 g : 0.5 ml CDCl3
|
| 2'-methylacetoacetanilide
|
|
Assign. Shift(ppm)
A 9.17
B 7.874
C 7.18
D 7.17
E 7.060
F 3.590
G 2.306
J 2.298
|
Hz ppm Int.
3665.41 9.172 37
3152.34 7.888 100
3144.41 7.868 103
3143.07 7.865 80
2877.93 7.202 55
2871.34 7.185 185
2863.89 7.166 179
2828.25 7.077 74
2827.15 7.075 75
2820.80 7.059 105
2813.35 7.040 42
2812.13 7.037 41
1435.06 3.591 603
921.88 2.307 808
918.70 2.299 1000