4-甲氧基苯甲酸甲酯(121-98-2)核磁图(13CNMR)
InChI:InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey: DDIZAANNODHTRB-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC=C(OC)C=C1
-
Mass
MS-KW-0255
methyl anisate
C9H10O3 (Mass of molecular ion: 166)
Source Temperature: 230 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 1.8
28.0 1.2
38.0 2.1
39.0 1.3
50.0 3.1
51.0 1.7
53.0 1.0
62.0 1.2
63.0 5.3
64.0 7.1
65.0 1.0
74.0 1.3
75.0 1.5
76.0 2.2
77.0 17.6
78.0 1.5
79.0 1.4
92.0 11.3
107.0 12.1
108.0 1.2
135.0 100.0
136.0 9.0
165.0 1.4
166.0 35.1
167.0 3.5
parameter in acetone-d6
400 MHz in CDCl3
-
| 1H NMR |
300 MHz |
| C9 H10 O3
|
1.0 M in acetone-d6
|
| methyl anisate
|
 |
Parameter ppm Hz
D(A) 7.953
D(B) 6.993
J(A,A') 2.20
J(A,B) 8.74
J(A,B') 0.29
J(A',B) 0.29
J(A',B') 8.74
J(B,B') 2.71
D(C) 3.867
D(D) 3.839
SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)
|
Hz ppm Int.
2393.30 7.978 24
2390.49 7.968 217
2388.44 7.961 72
2383.55 7.945 74
2381.47 7.938 230
2378.66 7.929 27
2105.18 7.017 27
2102.37 7.008 230
2100.29 7.001 74
2095.40 6.985 72
2093.36 6.978 217
2090.55 6.968 24
1160.11 3.867 1000
1151.75 3.839 1000
-
| 1H NMR |
399.65 MHz |
| C9H10O3
|
0.038 g : 0.5 ml CDCl3
|
| methyl anisate
|
|
Assign. Shift(ppm)
A 7.989
B 6.909
C *1 3.878
D *1 3.845
|
Hz ppm Int.
3200.93 8.007 41
3198.13 8.000 260
3196.05 7.995 92
3191.29 7.983 96
3189.09 7.978 265
3186.41 7.971 36
2769.05 6.927 42
2766.36 6.920 252
2764.17 6.915 87
2759.40 6.903 88
2757.33 6.898 239
2754.52 6.891 33
1550.18 3.878 1000
1536.87 3.845 919