2-硝基苯酚(88-75-5)核磁圖(13CNMR)
InChI:InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
InChIKey: IQUPABOKLQSFBK-UHFFFAOYSA-N
Smiles:C1(O)=CC=CC=C1[N+]([O-])=O
-
Mass
MS-NW-8718
o-nitrophenol
C6H5NO3 (Mass of molecular ion: 139)
Source Temperature: 260 °C
Sample Temperature: 140 °C
Reservoir, 75 eV
26.0 1.5
27.0 3.9
28.0 3.0
29.0 1.1
30.0 5.0
37.0 3.3
38.0 9.2
39.0 32.9
40.0 1.5
50.0 4.2
51.0 7.8
52.0 3.9
53.0 13.2
54.0 1.1
55.0 1.2
61.0 2.2
62.0 5.6
63.0 25.5
64.0 22.7
65.0 41.9
66.0 4.5
67.0 1.1
74.0 1.4
75.0 1.6
77.0 1.0
78.0 4.3
81.0 19.9
82.0 1.1
92.0 8.8
93.0 12.4
94.0 5.6
106.0 3.2
109.0 18.8
110.0 1.3
122.0 7.3
123.0 1.6
139.0 100.0
140.0 7.1
parameter in CDCl3
90 MHz in CDCl3
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| 1H NMR |
300 MHz |
| C6 H5 N O3
|
0.042 g : 0.5 ml CDCl3
|
| o-nitrophenol
|
 |
Parameter ppm Hz
D(A) 10.57
D(B) 8.103
D(C) 7.575
D(D) 7.161
D(E) 6.995
J(A,B) 0.0
J(A,C) 0.4
J(A,D) 0.0
J(A,E) 0.0
J(B,C) 1.7
J(B,D) 0.4
J(B,E) 8.4
J(C,D) 8.5
J(C,E) 8.5
J(D,E) 1.5
|
Hz ppm Int.
3170.99 10.570 1000
2435.98 8.120 258
2434.38 8.115 264
2427.60 8.092 281
2425.97 8.087 276
2282.05 7.607 120
2280.45 7.601 119
2273.56 7.579 268
2271.93 7.573 268
2265.08 7.550 152
2263.45 7.545 154
2153.09 7.177 282
2151.77 7.173 301
2144.61 7.149 249
2143.25 7.144 258
2107.52 7.025 192
2106.06 7.020 180
2099.10 6.997 346
2097.61 6.992 331
2090.65 6.969 164
2089.16 6.964 156
-
| 1H NMR |
89.56 MHz |
| C6 H5 N O3
|
0.042 g : 0.5 ml CDCl3
|
| o-nitrophenol
|
|
Assign. Shift(ppm)
A 10.57
B 8.103
C 7.575
D 7.161
E 6.995
J(A,C)=0.4HZ. J(B,C)=1.7HZ. J(B,D)=0.4HZ. J(B,E)=8.4HZ. J(C,D)=8.5HZ.
J(C,E)=8.5HZ. J(D,E)=1.5HZ.
|
Hz ppm Int.
946.75 10.572 1000
946.31 10.567 962
731.25 8.165 174
730.88 8.161 169
729.56 8.147 203
729.19 8.142 177
722.81 8.071 202
722.44 8.067 193
721.06 8.052 235
688.50 7.688 86
688.06 7.683 83
686.81 7.669 87
686.38 7.664 80
681.50 7.610 107
681.06 7.605 102
679.63 7.589 188
678.31 7.574 133
677.88 7.570 123
673.00 7.515 168
672.56 7.510 161
671.25 7.495 159
670.81 7.491 143
645.75 7.211 226
645.31 7.206 246
644.25 7.194 330
643.88 7.190 299
637.25 7.116 182
636.81 7.111 182
635.75 7.099 195
635.38 7.095 181
633.94 7.079 284
632.50 7.063 213
626.94 7.001 208
625.50 6.985 399
624.06 6.969 199
618.44 6.906 173
617.00 6.890 157
ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF