2-甲基-3-硝基苯酚(5460-31-1)Raman光譜
InChI:InChI=1S/C7H7NO3/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,9H,1H3
InChIKey: GAKLFAZBKQGUBO-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC([N+]([O-])=O)=C1C
-
Mass
MS-IW-9258
3-nitro-o-cresol
C7H7NO3 (Mass of molecular ion: 153)
Source Temperature: 210 °C
Sample Temperature: 150 °C
Reservoir, 75 eV
18.0 2.8
26.0 1.7
27.0 9.2
28.0 8.4
29.0 2.2
30.0 2.3
37.0 1.7
38.0 4.2
39.0 32.1
40.0 2.5
41.0 6.6
43.0 2.4
50.0 9.8
51.0 25.4
52.0 18.6
53.0 33.4
54.0 2.5
55.0 7.2
61.0 1.2
62.0 3.1
63.0 9.1
64.0 2.5
65.0 5.0
66.0 3.0
67.0 10.8
68.0 3.8
74.0 2.8
75.0 2.5
76.0 2.3
77.0 75.9
78.0 24.5
79.0 22.3
80.0 25.5
81.0 10.2
89.0 1.1
90.0 2.3
91.0 1.5
92.0 1.4
94.0 2.8
95.0 1.1
105.0 7.7
106.0 5.3
107.0 9.3
108.0 32.1
109.0 5.1
121.0 1.1
123.0 1.3
136.0 100.0
137.0 9.2
153.0 64.3
154.0 5.7
400 MHz in DMSO-d6
90 MHz in DMSO-d6
-
| 1H NMR |
399.65 MHz |
| C7 H7 N O3
|
0.038 g : 0.5 ml DMSO-d6
|
| 3-nitro-o-cresol
|
 |
Assign. Shift(ppm)
A 10.35
B 7.320
C 7.241
D 7.151
E 2.250
|
Hz ppm Int.
4138.64 10.356 476
2931.06 7.335 87
2929.84 7.332 98
2923.13 7.315 147
2921.75 7.311 152
2901.92 7.262 87
2893.83 7.241 163
2885.74 7.221 83
2861.94 7.162 132
2860.72 7.159 139
2854.00 7.142 90
2852.63 7.138 89
899.20 2.250 1000
-
| 1H NMR |
89.56 MHz |
| C7 H7 N O3
|
0.047 g : 0.5 ml DMSO-d6
|
| 3-nitro-o-cresol
|
|
Assign. Shift(ppm)
A 10.3
B 7.30
C 7.24
D 7.15
E 2.247
|
Hz ppm Int.
923.58 10.313 315
659.03 7.359 39
657.64 7.344 23
655.00 7.314 135
651.86 7.279 168
647.75 7.233 223
643.07 7.181 167
640.58 7.153 116
639.77 7.144 111
637.28 7.116 32
636.18 7.104 51
632.59 7.064 24
201.34 2.249 1000
194.97 2.177 28
194.09 2.168 24