間甲基苯甲醚(100-84-5)紅外圖譜(IR1)
InChI:InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3
InChIKey: OSIGJGFTADMDOB-UHFFFAOYSA-N
Smiles:C1(OC)=CC=CC(C)=C1
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Mass
MS-NW-0889
m-methoxytoluene
C8H10O (Mass of molecular ion: 122)
Source Temperature: 280 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
15.0 2.3
26.0 1.0
27.0 6.6
28.0 2.1
37.0 1.3
38.0 4.1
39.0 18.6
40.0 1.5
41.0 2.1
50.0 6.4
51.0 12.9
52.0 6.8
53.0 7.3
61.0 1.5
62.0 2.8
63.0 7.4
64.0 2.3
65.0 9.5
74.0 1.2
77.0 35.8
78.0 9.1
79.0 31.3
80.0 2.0
89.0 2.8
90.0 2.1
91.0 50.3
92.0 23.7
93.0 6.9
107.0 20.8
108.0 1.7
121.0 15.2
122.0 100.0
123.0 8.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H10 O
|
0.05 ml : 0.5 ml CDCl3
|
| m-methoxytoluene
|
 |
Assign. Shift(ppm)
A 7.138
B 6.738
C 6.699
D 6.69
E 3.731
F 2.302
|
Hz ppm Int.
2860.96 7.159 82
2853.15 7.140 159
2845.34 7.120 98
2697.75 6.751 85
2697.02 6.749 106
2696.29 6.747 103
2695.56 6.745 79
2691.16 6.734 50
2690.31 6.732 77
2689.58 6.730 100
2688.84 6.728 101
2688.11 6.727 77
2682.13 6.712 75
2681.27 6.710 86
2679.44 6.705 155
2678.71 6.703 156
2677.86 6.701 165
2677.25 6.699 170
2668.58 6.678 86
2666.26 6.672 66
1491.21 3.732 1000
920.29 2.303 647
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| 1H NMR |
89.56 MHz |
| C8 H10 O
|
0.05 ml : 0.5 ml CDCl3
|
| m-methoxytoluene
|
|
Assign. Shift(ppm)
A 7.12
B 6.82 to 6.61
C 3.729
D 2.302
|
Hz ppm Int.
647.88 7.235 24
640.00 7.147 49
638.56 7.130 40
637.56 7.119 30
631.88 7.056 58
607.00 6.778 64
606.38 6.771 73
605.81 6.765 73
605.19 6.758 63
601.31 6.715 163
599.94 6.699 125
599.06 6.689 127
598.44 6.683 110
595.75 6.652 48
595.31 6.648 48
334.06 3.731 1000
332.06 3.708 46
206.38 2.305 461