4-硝基苯二氯化磷(777-52-6)核磁图(13CNMR)
分子式:C6H4Cl2NO4P
分子量: 255.98
InChI:InChI=1S/C6H4Cl2NO4P/c7-14(8,12)13-6-3-1-5(2-4-6)9(10)11/h1-4H
InChIKey: NCPBESHYZRJICR-UHFFFAOYSA-N
Smiles:P(Cl)(Cl)(OC1=CC=C([N+]([O-])=O)C=C1)=O
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![图谱](https://www.chemicalbook.com/Spectrum/777-52-6_MS.gif)
Mass
MS-NW-7471
p-nitrophenyl phosphorodichloridate
C6H4Cl2NO4P (Mass of molecular ion: 255)
Source Temperature: 170 °C
Sample Temperature: 140 °C
Direct, 75 eV
18.0 2.8
26.0 2.8
28.0 4.9
30.0 21.6
36.0 3.1
37.0 3.1
38.0 14.2
39.0 2.6
47.0 13.5
50.0 14.8
51.0 5.3
52.0 4.6
53.0 2.6
54.0 2.3
61.0 3.1
62.0 9.4
63.0 40.9
64.0 28.5
65.0 1.7
73.0 1.5
74.0 10.2
75.0 100.0
76.0 13.4
79.0 3.6
80.0 3.3
83.0 1.4
91.0 1.7
92.0 17.0
93.0 1.2
99.0 15.7
101.0 5.3
103.0 3.4
107.0 4.1
108.0 1.3
111.0 8.1
113.0 2.4
117.0 24.1
119.0 15.1
121.0 2.4
122.0 2.6
127.0 21.9
128.0 1.6
129.0 7.0
139.0 2.3
173.0 1.3
174.0 5.8
176.0 1.9
181.0 4.8
183.0 3.0
197.0 8.1
199.0 5.9
201.0 1.0
209.0 16.8
210.0 1.4
211.0 11.3
213.0 1.9
220.0 6.3
222.0 2.1
225.0 43.3
226.0 2.9
227.0 28.1
228.0 2.0
229.0 4.9
239.0 2.5
241.0 1.6
255.0 53.8
256.0 4.1
257.0 34.4
258.0 2.5
259.0 6.0
400 MHz in CDCl3
90 MHz in CDCl3
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![图谱](https://www.chemicalbook.com/Spectrum/777-52-6_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C6 H4 Cl2 N O4 P
|
0.036 g : 0.5 ml CDCl3
|
p-nitrophenyl phosphorodichloridate
|
![ChemicalStructure](Spectrum/777-52-6_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 8.353
B 7.514
|
Hz ppm Int.
3346.92 8.375 108
3345.83 8.372 130
3343.63 8.367 833
3342.65 8.364 876
3341.55 8.362 383
3340.45 8.359 306
3338.50 8.354 78
3336.67 8.349 304
3335.57 8.347 374
3334.47 8.344 926
3333.37 8.341 912
3331.18 8.336 138
3330.08 8.333 110
3011.72 7.536 113
3009.64 7.531 170
3008.42 7.528 876
3006.47 7.523 1000
3004.27 7.518 297
3001.34 7.510 287
2999.27 7.505 950
2997.31 7.500 825
2995.97 7.497 166
2994.02 7.492 94
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![图谱](https://www.chemicalbook.com/Spectrum/777-52-6_1HNMR.gif)
1H NMR |
89.56 MHz |
C6 H4 Cl2 N O4 P
|
0.045 g : 0.5 ml CDCl3
|
p-nitrophenyl phosphorodichloridate
|
![ChemicalStructure](Spectrum/777-52-6_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 8.35
B 7.51
|
Hz ppm Int.
753.13 8.410 789
752.06 8.398 774
750.75 8.383 342
749.75 8.372 319
746.06 8.331 393
745.00 8.319 478
743.69 8.304 1000
742.63 8.292 867
679.13 7.583 299
677.88 7.570 964
676.00 7.549 990
673.63 7.522 321
670.81 7.491 378
668.88 7.469 740
668.50 7.465 788
666.56 7.443 692