3-甲基苯甲醛(620-23-5)核磁图(13CNMR)
InChI:InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey: OVWYEQOVUDKZNU-UHFFFAOYSA-N
Smiles:C(=O)C1=CC=CC(C)=C1
-
Mass
MS-NW-3491
m-tolualdehyde
C8H8O (Mass of molecular ion: 120)
Source Temperature: 270 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
27.0 2.1
29.0 2.3
37.0 1.7
38.0 3.1
39.0 15.3
40.0 1.5
41.0 3.6
50.0 5.3
51.0 8.6
52.0 1.9
61.0 2.2
62.0 4.7
63.0 11.4
64.0 3.0
65.0 25.4
66.0 1.8
74.0 1.7
75.0 1.3
77.0 1.6
86.0 1.3
89.0 7.7
90.0 4.2
91.0 100.0
92.0 11.5
119.0 93.3
120.0 86.4
121.0 7.9
139.0 1.9
174.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C8 H8 O
|
0.05 ml : 0.5 ml CDCl3
|
| m-tolualdehyde
|
 |
Assign. Shift(ppm)
A 9.949
B 7.65
C 7.40
D 7.38
E 2.389
|
Hz ppm Int.
3976.44 9.950 681
3060.91 7.659 158
3060.30 7.658 174
3057.40 7.651 315
3055.27 7.645 319
3054.81 7.644 302
3053.89 7.642 220
3053.28 7.640 214
3052.67 7.639 183
2966.31 7.423 32
2965.85 7.422 30
2964.32 7.418 64
2963.71 7.416 62
2962.49 7.413 62
2961.88 7.412 59
2961.27 7.410 46
2958.83 7.404 201
2958.37 7.403 205
2956.70 7.399 510
2955.02 7.395 219
2954.41 7.393 196
2953.03 7.390 130
2949.83 7.382 265
2945.56 7.371 30
2942.20 7.362 80
955.05 2.390 979
954.59 2.389 1000
-
| 1H NMR |
89.56 MHz |
| C8 H8 O
|
0.04 ml : 0.5 ml CDCl3
|
| m-tolualdehyde
|
|
Assign. Shift(ppm)
A 9.958
B 7.68 to 7.61
C 7.41
D 7.39
E 2.401
|
Hz ppm Int.
891.87 9.959 585
690.75 7.713 31
690.16 7.707 57
689.65 7.701 59
688.99 7.694 42
688.18 7.685 73
687.38 7.676 120
686.72 7.668 192
686.13 7.662 232
685.69 7.657 319
684.52 7.644 154
683.79 7.635 118
683.06 7.627 87
682.47 7.621 118
681.88 7.614 120
681.37 7.608 70
680.86 7.603 58
680.27 7.596 53
679.76 7.590 32
665.41 7.430 386
664.31 7.418 207
662.84 7.402 138
662.33 7.396 127
661.96 7.392 114
660.57 7.376 155
660.06 7.371 114
659.11 7.360 193
215.92 2.411 485
215.11 2.402 1000
214.38 2.394 725