3-氨基苯甲酸甲酯(4518-10-9)紅外圖譜(IR2)
InChI:InChI=1S/C8H9NO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3
InChIKey: VZDNXXPBYLGWOS-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=CC(N)=C1
-
Mass
MS-IW-8788
methyl m-aminobenzoate
C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 220 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
28.0 1.5
38.0 1.7
39.0 6.4
41.0 1.9
45.5 1.0
46.0 3.3
52.0 2.4
60.0 3.8
62.0 1.4
63.0 4.4
64.0 4.0
65.0 24.4
66.0 3.6
90.0 1.6
91.0 4.4
92.0 66.8
93.0 16.1
94.0 1.1
106.0 1.5
119.0 1.2
120.0 90.4
121.0 9.0
150.0 1.1
151.0 100.0
152.0 9.4
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C8 H9 N O2
|
0.043 g : 0.5 ml CDCl3
|
| methyl m-aminobenzoate
|
 |
Assign. Shift(ppm)
A 7.39
B 7.34
C 7.198
D 6.841
E 3.872
F 3.72
J(A,C)=7.5HZ
J(A,D)=1.3HZ
J(B,C)=0.6HZ
J(B,D)=2.4HZ
J(C,D)=7.8HZ
|
Hz ppm Int.
668.19 7.461 37
666.69 7.445 30
662.13 7.394 31
660.56 7.376 91
659.19 7.361 120
658.19 7.350 57
657.31 7.340 72
656.63 7.332 73
655.75 7.322 50
651.69 7.277 53
651.00 7.269 47
643.94 7.191 80
643.31 7.184 66
636.44 7.107 40
635.81 7.100 35
617.50 6.895 44
616.25 6.881 48
615.13 6.869 44
613.75 6.853 41
346.81 3.873 1000
332.94 3.718 106
-
| 1H NMR |
399.65 MHz |
| C8H9NO2
|
0.040 g : 0.5 ml CDCl3
|
| methyl m-aminobenzoate
|
|
Assign. Shift(ppm)
A 7.411
B 7.345
C 7.196
D 6.841
E 3.876
F 3.8
|
Hz ppm Int.
2968.14 7.425 55
2967.05 7.422 65
2966.56 7.421 67
2965.58 7.418 59
2960.45 7.406 65
2959.36 7.403 75
2958.87 7.402 81
2957.89 7.399 69
2938.24 7.350 79
2937.87 7.349 82
2936.65 7.346 82
2936.16 7.345 89
2935.80 7.344 94
2935.31 7.343 88
2934.09 7.340 74
2933.72 7.339 69
2884.53 7.216 75
2884.04 7.215 74
2876.47 7.196 137
2868.78 7.176 71
2868.41 7.175 70
2740.24 6.855 65
2739.26 6.852 67
2737.80 6.849 64
2736.70 6.846 62
2732.30 6.835 58
2731.21 6.832 58
2729.74 6.829 56
2728.76 6.826 55
1552.37 3.884 40
1549.08 3.875 1000
1500.98 3.755 15
1474.49 3.689 14