4-亚硝基苯酚(104-91-6)核磁图(13CNMR)
InChI:InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChIKey: JSTCPNFNKICNNO-UHFFFAOYSA-N
Smiles:C1(O)=CC=C(N=O)C=C1
-
Mass
MS-NW-1382
p-nitrosophenol
C6H5NO2 (Mass of molecular ion: 123)
Source Temperature: 260 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
18.0 2.4
25.0 1.4
26.0 10.0
27.0 3.2
28.0 3.9
29.0 1.4
30.0 1.7
37.0 3.4
38.0 6.9
39.0 24.1
40.0 2.6
41.0 2.2
44.0 1.0
49.0 1.1
50.0 5.1
51.0 12.4
52.0 23.7
53.0 7.6
54.0 5.4
55.0 1.3
61.0 2.4
62.0 4.0
63.0 8.9
64.0 5.6
65.0 46.7
66.0 3.8
68.0 4.3
69.0 1.7
74.0 1.0
75.0 1.3
76.0 1.1
77.0 1.2
78.0 7.7
79.0 1.8
80.0 14.0
81.0 1.4
92.0 1.3
93.0 13.8
94.0 1.6
95.0 14.2
96.0 1.0
106.0 1.2
107.0 4.4
109.0 1.5
123.0 100.0
124.0 7.1
400 MHz in DMSO-d6
90 MHz in DMSO-d6
parameter in dioxane
-
| 1H NMR |
399.65 MHz |
| C6 H5 N O2
|
0.037 g : 0.5 ml DMSO-d6
|
| p-nitrosophenol
|
 |
Assign. Shift(ppm)
A 13.
B 7.66
C 6.631
90MHZ:HSP-03-885
|
Hz ppm Int.
3066.15 7.673 598
3059.10 7.655 618
2667.20 6.674 49
2666.78 6.673 51
2666.35 6.672 49
2663.79 6.666 86
2655.02 6.644 1000
2645.62 6.620 986
2636.86 6.598 135
2636.01 6.596 124
2634.51 6.593 97
2633.66 6.590 92
2633.02 6.589 85
2632.16 6.587 75
2631.73 6.586 75
2630.88 6.583 68
2630.45 6.582 63
2629.81 6.581 61
2628.96 6.579 53
2627.67 6.575 50
-
| 1H NMR |
89.56 MHz |
| C6 H5 N O2
|
0.040 g : 0.5 ml DMSO-d6
|
| p-nitrosophenol
|
|
Assign. Shift(ppm)
A 7.654
B 6.630
|
Hz ppm Int.
694.00 7.749 76
693.00 7.738 44
691.13 7.717 666
689.19 7.696 198
686.25 7.663 32
685.69 7.657 27
683.19 7.629 203
681.25 7.607 831
678.38 7.575 121
600.94 6.710 69
598.38 6.682 1000
593.75 6.630 32
592.63 6.618 27
592.13 6.612 28
588.56 6.572 817
586.00 6.544 68
-
| 1H NMR |
300 MHz |
| C6 H5 N O2
|
5-10 wt% in dioxane
|
| p-nitrosophenol
|
|
Parameter ppm Hz
D(A) 6.444
D(B) 7.725
D(C) 7.215
D(D) 6.431
J(A,B) 10.18
J(A,C) 0.02
J(A,D) 1.76
J(B,C) 2.55
J(B,D) 0.06
J(C,D) 10.15
D(E) 11.68
NORRIS,R.K. & STERNHELL,S. AUST.J.CHEM. 22, 935 (1969)
OH(E) IS BROAD : TEMPERATURE AND CONCENTRATION DEPENDENT.
|
Hz ppm Int.
3504.01 11.680 1000
2324.12 7.747 210
2321.38 7.738 236
2317.86 7.726 21
2313.66 7.712 215
2311.31 7.704 249
2170.90 7.236 239
2168.55 7.228 200
2164.40 7.215 21
2160.88 7.203 260
2158.14 7.194 217
1939.21 6.464 201
1937.50 6.458 333
1935.11 6.450 280
1933.44 6.445 244
1928.90 6.430 225
1927.28 6.424 253
1924.89 6.416 304
1923.18 6.411 183