3,5-二甲氧基苯甲酸甲酯(2150-37-0)Raman光谱
InChI:InChI=1S/C10H12O4/c1-12-8-4-7(10(11)14-3)5-9(6-8)13-2/h4-6H,1-3H3
InChIKey: YXUIOVUOFQKWDM-UHFFFAOYSA-N
Smiles:C(OC)(=O)C1=CC(OC)=CC(OC)=C1
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Mass
MS-NW-7260
methyl 3,5-dimethoxybenzoate
C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 210 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 8.6
27.0 1.2
28.0 2.9
29.0 2.0
37.0 1.0
38.0 2.9
39.0 3.9
41.0 1.2
50.0 3.8
51.0 10.3
52.0 3.4
53.0 2.8
59.0 7.5
61.0 1.6
62.0 5.5
63.0 15.2
64.0 5.1
65.0 2.6
66.0 2.9
69.0 9.2
74.0 2.1
75.0 2.3
77.0 13.6
78.0 4.0
79.0 8.7
80.0 1.5
82.0 1.2
82.5 2.2
83.0 1.1
91.0 2.1
92.0 5.3
93.0 2.1
94.0 3.8
95.0 2.7
98.0 2.3
105.0 1.3
106.0 3.4
107.0 17.9
108.0 6.0
109.0 8.2
110.0 1.4
121.0 1.2
122.0 29.2
123.0 5.3
125.0 2.5
135.0 11.4
136.0 1.6
137.0 34.3
138.0 35.0
139.0 3.4
150.0 3.1
151.0 1.9
153.0 1.6
163.0 1.0
165.0 78.1
166.0 9.0
167.0 1.4
195.0 1.5
196.0 100.0
197.0 11.4
198.0 1.5
parameter in acetone-d6
400 MHz in DMSO-d6
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| 1H NMR |
300 MHz |
| C10 H12 O4
|
1.0 M in acetone-d6
|
| methyl 3,5-dimethoxybenzoate
|
 |
Parameter ppm Hz
D(A) 7.117
D(B) 6.692
J(A,B) 2.36
D(C) 3.859
D(D) 3.825
SCOTT,K.N. J.MAGN.RESON. 2, 361 (1970)
|
Hz ppm Int.
2136.31 7.121 168
2133.96 7.113 174
2009.93 6.700 46
2007.61 6.692 85
2005.23 6.684 42
1157.69 3.859 501
1147.53 3.825 1000
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| 1H NMR |
399.65 MHz |
| C10 H12 O4
|
0.028 g : 0.5 ml DMSO-d6
|
| methyl 3,5-dimethoxybenzoate
|
|
Assign. Shift(ppm)
A 7.069
B 6.780
C 3.849
D 3.800
|
Hz ppm Int.
2826.42 7.073 223
2824.10 7.067 223
2711.55 6.785 61
2709.23 6.780 107
2706.79 6.773 54
1538.57 3.850 562
1518.92 3.801 1000