2,4,6-三甲氧基苯甲醛(830-79-5)Raman光譜
InChI:InChI=1S/C10H12O4/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3/h4-6H,1-3H3
InChIKey: CRBZVDLXAIFERF-UHFFFAOYSA-N
Smiles:C(=O)C1=C(OC)C=C(OC)C=C1OC
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Mass
MS-NW-7353
2,4,6-trimethoxybenzaldehyde
C10H12O4 (Mass of molecular ion: 196)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
15.0 3.1
27.0 1.6
28.0 1.0
29.0 2.5
37.0 1.1
38.0 3.5
39.0 6.7
41.0 1.9
43.0 1.6
50.0 5.4
51.0 8.1
52.0 4.7
53.0 5.4
54.0 1.0
55.0 1.7
59.0 5.3
61.0 2.0
62.0 5.8
63.0 9.3
64.0 3.4
65.0 5.1
66.0 4.1
67.0 1.9
69.0 16.7
74.0 1.8
75.0 2.4
76.0 1.7
77.0 5.9
78.0 4.6
79.0 5.7
80.0 2.5
81.0 2.4
82.0 1.2
83.0 1.3
90.0 1.8
91.0 3.2
92.0 3.4
93.0 3.8
94.0 2.4
95.0 5.3
96.0 1.5
105.0 1.7
106.0 20.0
107.0 6.5
108.0 3.7
109.0 7.2
110.0 2.4
120.0 5.3
121.0 11.7
122.0 6.1
123.0 3.3
124.0 2.7
125.0 6.3
134.0 4.3
135.0 11.3
136.0 2.4
137.0 13.4
138.0 3.3
139.0 10.1
140.0 1.0
148.0 3.1
149.0 8.0
150.0 16.8
151.0 14.0
152.0 11.5
153.0 3.8
154.0 2.2
163.0 5.1
164.0 3.0
165.0 13.7
166.0 3.2
167.0 13.7
168.0 3.2
177.0 1.8
178.0 18.2
179.0 52.9
180.0 18.7
181.0 8.3
182.0 1.0
195.0 62.0
196.0 100.0
197.0 12.3
198.0 1.6
parameter in CDCl3
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C10 H12 O4
|
0.042 g : 0.5 ml CDCl3
|
| 2,4,6-trimethoxybenzaldehyde
|
 |
Parameter ppm Hz
D(A) 10.351
D(B) 6.078
D(C) 3.880
D(D) 3.875
|
Hz ppm Int.
3105.31 10.351 162
1823.38 6.078 324
1164.03 3.880 1000
1162.53 3.875 542
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| 1H NMR |
89.56 MHz |
| C10 H12 O4
|
0.049 g : 0.5 ml CDCl3
|
| 2,4,6-trimethoxybenzaldehyde
|
|
Assign. Shift(ppm)
A 10.4
B 6.076
C 3.87
|
Hz ppm Int.
544.26 6.078 219
347.09 3.876 1000
343.14 3.832 32
342.99 3.830 32
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| 1H NMR |
399.65 MHz |
| C10 H12 O4
|
0.042 g : 0.5 ml CDCl3
|
| 2,4,6-trimethoxybenzaldehyde
|
|
Assign. Shift(ppm)
A 10.351
B 6.078
C 3.880
D 3.875
|
Hz ppm Int.
4136.63 10.351 175
2428.97 6.078 320
1564.43 3.915 27
1562.23 3.909 22
1550.50 3.880 1000
1548.31 3.875 613
1536.95 3.846 23