4-氟苯甲酰乙酸甲酯(63131-29-3)红外图谱(IR1)
InChI:
InChIKey:
Smiles:
-
Mass
MS-NW-7552
methyl (p-fluorobenzoyl)acetate
C10H9FO3 (Mass of molecular ion: 196)
Source Temperature: 260 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
15.0 3.0
28.0 1.7
29.0 1.9
31.0 2.7
32.0 1.8
42.0 1.3
43.0 1.6
44.0 1.9
50.0 2.6
51.0 1.6
57.0 1.8
59.0 1.8
63.0 1.1
68.0 1.3
69.0 5.3
74.0 1.7
75.0 9.2
76.0 1.0
83.0 1.6
94.0 2.1
95.0 32.6
96.0 2.9
107.0 1.2
109.0 2.8
123.0 100.0
124.0 7.7
138.0 1.4
164.0 3.9
165.0 1.9
196.0 5.5
400 MHz in CDCl3
90 MHz in CDCl3
in CDCl3
-
| 1H NMR |
399.65 MHz |
| C10 H9 F O3
|
0.05 ml : 0.5 ml CDCl3
|
| methyl (p-fluorobenzoyl)acetate
|
 |
Assign. Shift(ppm)
A 7.983
B 7.770
C 7.148
D 7.094
E 5.617
F 4.002
G 3.790
J 3.743
K 2.579
|
Hz ppm Int.
3197.63 8.002 164
3195.43 7.996 72
3192.26 7.988 169
3190.80 7.984 86
3190.19 7.983 85
3188.60 7.979 186
3185.55 7.971 72
3183.23 7.966 176
3112.55 7.789 30
3107.30 7.776 31
3103.52 7.766 34
3098.14 7.753 32
2865.60 7.171 172
2863.40 7.165 63
2860.11 7.157 35
2858.64 7.153 68
2857.18 7.150 223
2856.57 7.148 230
2855.10 7.145 89
2853.64 7.141 38
2850.34 7.133 60
2848.14 7.127 173
2846.80 7.124 39
2845.34 7.120 30
2843.99 7.117 42
2835.45 7.095 47
2834.96 7.094 48
2826.42 7.073 31
2245.12 5.618 75
1602.29 4.010 31
1599.37 4.002 694
1514.89 3.791 277
1495.97 3.744 1000
1030.88 2.580 107
-
| 1H NMR |
89.56 MHz |
| C10 H9 F O3
|
0.05 ml : 0.5 ml CDCl3
|
| methyl (p-fluorobenzoyl)acetate
|
|
Assign. Shift(ppm)
A 7.980
B 7.15
C 3.997
D 3.742
|
Hz ppm Int.
722.36 8.066 106
720.21 8.042 46
716.99 8.006 115
715.43 7.989 67
713.38 7.966 136
710.25 7.931 57
708.01 7.906 128
648.63 7.243 129
646.48 7.219 49
643.75 7.188 43
640.23 7.149 185
638.09 7.125 61
635.25 7.094 47
633.40 7.073 49
631.25 7.049 101
358.11 3.999 612
335.25 3.744 1000
-
