3-甲氧基苯甲酸甲酯(5368-81-0)核磁圖(1HNMR)
InChI:InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3
InChIKey: DUKYPQBGYRJVAN-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=CC(OC)=C1
-
Mass
MS-IW-9049
methyl m-methoxybenzoate
C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 200 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.6
28.0 1.2
38.0 2.7
39.0 2.0
50.0 3.9
51.0 2.2
53.0 1.4
59.0 1.2
62.0 1.6
63.0 7.8
64.0 9.7
65.0 1.8
74.0 1.5
75.0 1.8
76.0 3.4
77.0 23.3
78.0 2.8
79.0 2.2
91.0 1.1
92.0 14.7
93.0 1.5
107.0 34.5
108.0 4.8
119.0 1.2
120.0 1.5
121.0 1.3
135.0 100.0
136.0 9.8
165.0 1.0
166.0 68.0
167.0 6.8
400 MHz in CDCl3
parameter in acetone-d6
-
| 1H NMR |
399.65 MHz |
| C9 H10 O3
|
0.05 ml : 0.5 ml CDCl3
|
| methyl m-methoxybenzoate
|
 |
Assign. Shift(ppm)
A 7.622
B 7.551
C 7.319
D 7.080
E *1 3.893
F *1 3.819
|
Hz ppm Int.
3051.76 7.637 82
3050.78 7.634 106
3050.29 7.633 108
3049.32 7.630 92
3044.19 7.618 99
3043.09 7.615 115
3042.60 7.614 121
3041.63 7.611 108
3019.78 7.557 114
3018.19 7.553 114
3017.21 7.550 124
3015.75 7.546 108
2933.35 7.340 101
2932.86 7.339 101
2925.66 7.321 120
2925.05 7.320 167
2917.36 7.300 110
2916.99 7.299 109
2835.45 7.095 90
2834.47 7.093 95
2832.76 7.089 90
2831.79 7.086 90
2827.27 7.075 78
2826.17 7.072 79
2824.46 7.068 76
2823.49 7.065 76
1556.15 3.894 1000
1526.37 3.820 872
-
| 1H NMR |
300 MHz |
| C9 H10 O3
|
1.0 M in acetone-d6
|
| methyl m-methoxybenzoate
|
|
Parameter ppm Hz
D(A) 7.518
D(B) 7.171
D(C) 7.396
D(D) 7.583
J(A,B) 2.73
J(A,C) 0.46
J(A,D) 1.52
J(B,C) 8.29
J(B,D) 1.07
J(C,D) 7.66
D(E) 3.841
D(F) 3.873
SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)
|
Hz ppm Int.
2280.31 7.601 40
2278.94 7.596 63
2277.71 7.592 46
2272.68 7.576 52
2271.28 7.571 81
2270.08 7.567 61
2257.32 7.524 72
2255.77 7.519 71
2255.00 7.517 80
2254.65 7.515 79
2253.49 7.512 66
2226.91 7.423 60
2218.75 7.396 108
2211.02 7.370 59
2157.09 7.190 55
2156.00 7.187 56
2154.35 7.181 54
2153.26 7.178 52
2148.83 7.163 43
2147.74 7.159 44
2146.09 7.154 43
2145.00 7.150 40
1161.89 3.873 1000
1152.32 3.841 1000