3-甲基-2-硝基苯酚(4920-77-8)紅外圖譜(IR2)
InChI:InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3
InChIKey: QIORDSKCCHRSSD-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC(C)=C1[N+]([O-])=O
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Mass
MS-NW-6693
2-nitro-m-cresol
C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 2.1
26.0 3.6
27.0 16.5
28.0 9.2
29.0 5.1
30.0 8.0
31.0 1.8
37.0 5.1
38.0 10.7
39.0 49.9
40.0 4.8
41.0 10.1
42.0 1.0
43.0 3.1
49.0 1.9
50.0 16.8
51.0 43.2
52.0 67.9
53.0 53.7
54.0 4.2
55.0 9.0
61.0 2.9
62.0 6.0
63.0 16.4
64.0 7.3
65.0 16.8
66.0 6.7
67.0 6.6
68.0 2.3
74.0 3.6
75.0 3.0
76.0 4.1
77.0 86.2
78.0 48.8
79.0 33.4
80.0 30.4
81.0 34.8
82.0 2.7
89.0 1.0
90.0 7.6
91.0 7.1
92.0 3.8
93.0 2.1
94.0 2.1
95.0 2.6
105.0 12.3
106.0 35.7
107.0 7.0
108.0 22.0
109.0 6.7
118.0 1.4
120.0 1.9
121.0 1.0
123.0 2.1
135.0 1.6
136.0 96.5
137.0 9.1
153.0 100.0
154.0 8.4
155.0 1.0
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H7 N O3
|
0.036 g : 0.5 ml CDCl3
|
| 2-nitro-m-cresol
|
 |
Assign. Shift(ppm)
A 10.1
B 7.282
C 6.897
D 6.724
E 2.491
J(B,C)=8.4HZ
J(B,D)=7.6HZ
J(C,D)=1.4HZ
J(C,E)=-0.5HZ
J(D,E)=-0.8HZ
|
Hz ppm Int.
4040.99 10.112 710
2918.40 7.303 212
2910.77 7.284 282
2910.31 7.283 284
2902.53 7.263 229
2761.23 6.910 217
2760.62 6.908 251
2759.70 6.906 236
2759.25 6.905 214
2752.23 6.887 218
2751.31 6.885 207
2750.85 6.884 192
2692.26 6.737 194
2691.50 6.735 232
2690.73 6.733 232
2689.97 6.731 188
2684.63 6.718 167
2683.87 6.716 208
2683.26 6.715 213
2682.50 6.713 176
995.79 2.492 1000
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| 1H NMR |
89.56 MHz |
| C7 H7 N O3
|
0.048 g : 0.5 ml CDCl3
|
| 2-nitro-m-cresol
|
|
Assign. Shift(ppm)
A 10.27
B 7.35
C 6.998
D 6.823
E 2.612
|
Hz ppm Int.
920.07 10.274 483
667.90 7.458 75
660.50 7.375 104
659.55 7.365 129
652.22 7.283 163
631.20 7.048 94
630.62 7.042 103
629.59 7.030 138
629.08 7.025 130
622.71 6.953 67
622.19 6.948 75
621.17 6.936 76
620.65 6.930 72
616.11 6.880 41
615.38 6.872 104
614.58 6.863 129
613.77 6.854 115
613.04 6.846 86
612.30 6.837 36
608.06 6.790 77
607.25 6.781 97
606.45 6.772 90
605.64 6.763 68
233.94 2.613 1000