3,5-二甲氧基芐醇(705-76-0)紅外圖譜(IR2)
InChI:InChI=1S/C9H12O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5,10H,6H2,1-2H3
InChIKey: AUDBREYGQOXIFT-UHFFFAOYSA-N
Smiles:C1(CO)=CC(OC)=CC(OC)=C1
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Mass
MS-NW-6354
3,5-dimethoxybenzyl alcohol
C9H12O3 (Mass of molecular ion: 168)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
15.0 3.9
18.0 2.5
27.0 2.7
28.0 4.9
29.0 2.7
31.0 2.7
38.0 2.5
39.0 8.0
40.0 1.5
41.0 5.5
43.0 2.1
45.0 1.2
50.0 2.7
51.0 6.0
52.0 2.5
53.0 4.4
54.0 1.4
55.0 2.7
59.0 1.8
62.0 2.1
63.0 6.0
64.0 3.0
65.0 11.1
66.0 3.8
67.0 4.1
69.0 3.8
74.0 1.1
75.0 1.1
77.0 10.4
78.0 4.1
79.0 4.4
80.0 1.1
81.0 2.7
82.0 3.5
91.0 3.4
92.0 2.9
93.0 3.7
94.0 4.6
95.0 3.1
96.0 2.9
97.0 4.4
105.0 1.6
106.0 1.1
107.0 6.3
108.0 5.0
109.0 15.3
110.0 3.0
120.0 2.3
121.0 6.2
122.0 3.4
123.0 1.2
124.0 5.4
125.0 11.0
135.0 5.5
136.0 2.1
137.0 8.6
138.0 1.7
139.0 39.5
140.0 3.7
149.0 1.5
151.0 8.6
152.0 2.5
153.0 3.1
165.0 1.6
166.0 3.6
167.0 9.5
168.0 100.0
169.0 10.1
170.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C9H12O3
|
0.038 g : 0.5 ml CDCl3
|
| 3,5-dimethoxybenzyl alcohol
|
 |
Assign. Shift(ppm)
A 6.490
B 6.358
C 4.578
D 3.761
E 2.43
|
Hz ppm Int.
2595.71 6.493 183
2595.10 6.492 121
2593.88 6.489 123
2593.39 6.487 188
2543.71 6.363 61
2541.39 6.357 100
2539.07 6.352 50
1832.77 4.585 112
1826.91 4.570 110
1574.22 3.938 9
1503.30 3.761 1000
1489.38 3.726 5
1430.30 3.578 9
976.08 2.442 36
970.10 2.427 80
964.12 2.412 33
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| 1H NMR |
89.56 MHz |
| C9 H12 O3
|
0.046 g : 0.5 ml CDCl3
|
| 3,5-dimethoxybenzyl alcohol
|
|
Assign. Shift(ppm)
A 6.486
B 6.359
C 4.572
D 3.757
E 2.36
|
Hz ppm Int.
582.31 6.502 68
580.00 6.477 112
571.31 6.380 37
569.06 6.354 42
409.50 4.573 109
336.50 3.758 1000
334.44 3.735 29
211.19 2.359 27