1-苯基-4,5-二氯-6-哒酮(1698-53-9)质谱(MS)
分子式:C10H6Cl2N2O
分子量: 241.07
InChI:InChI=1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H
InChIKey: VKWCOHVAHQOJGU-UHFFFAOYSA-N
Smiles:C1(=O)N(C2=CC=CC=C2)N=CC(Cl)=C1Cl
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![图谱](https://www.chemicalbook.com/Spectrum/1698-53-9_MS_1.jpg)
Mass
MS-NW-6723
4,5-dichloro-1-phenyl-6-pyridazone
C10H6Cl2N2O (Mass of molecular ion: 240)
Source Temperature: 150 °C
Sample Temperature: 120 °C
Direct, 75 eV
18.0 2.1
27.0 2.1
28.0 1.0
37.0 3.8
38.0 3.3
39.0 4.6
50.0 4.9
51.0 20.9
52.0 2.1
62.0 1.2
63.0 4.6
64.0 6.3
65.0 3.0
72.0 4.8
74.0 2.2
75.0 1.2
76.0 1.2
77.0 100.0
78.0 6.8
86.0 1.1
87.0 2.7
91.0 7.0
94.0 1.4
105.0 11.6
107.0 9.8
109.0 6.7
111.0 1.2
114.0 1.8
142.0 3.1
149.0 3.5
150.0 3.4
151.0 1.8
152.0 1.1
177.0 2.2
205.0 2.1
212.0 2.3
214.0 1.5
239.0 20.7
240.0 36.2
241.0 17.2
242.0 23.1
243.0 4.9
244.0 3.9
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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![图谱](https://www.chemicalbook.com/Spectrum/1698-53-9_1HNMR_2.jpg)
1H NMR |
399.65 MHz |
C10 H6 Cl2 N2 O
|
0.036 g : 0.5 ml DMSO-d6
|
4,5-dichloro-1-phenyl-6-pyridazone
|
![ChemicalStructure](Spectrum/1698-53-9_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 8.286
B 7.55
C 7.53
D 7.464
|
Hz ppm Int.
3311.52 8.287 1000
3024.66 7.569 147
3022.71 7.564 220
3022.09 7.562 113
3020.26 7.558 100
3017.94 7.552 124
3017.09 7.550 213
3016.72 7.549 214
3015.75 7.546 553
3014.28 7.543 507
3013.79 7.542 552
3012.70 7.539 500
3010.38 7.533 102
3007.93 7.527 133
3006.71 7.524 323
3005.74 7.521 459
3003.91 7.517 145
2999.76 7.506 112
2997.92 7.502 149
2997.44 7.501 158
2995.85 7.497 36
2989.87 7.482 135
2988.16 7.477 203
2986.08 7.472 123
2984.13 7.467 95
2982.18 7.462 135
2981.20 7.460 140
2980.71 7.459 133
2978.27 7.453 55
2976.20 7.448 47
2974.73 7.444 55
2974.37 7.443 53
2972.78 7.439 40
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![图谱](https://www.chemicalbook.com/Spectrum/1698-53-9_1HNMR_0.jpg)
1H NMR |
89.56 MHz |
C10 H6 Cl2 N2 O
|
0.045 g : 0.5 ml DMSO-d6
|
4,5-dichloro-1-phenyl-6-pyridazone
|
![ChemicalStructure](Spectrum/1698-53-9_1HNMR_2_0.jpg) |
Assign. Shift(ppm)
A 8.32
B 7.70 to 7.36
|
Hz ppm Int.
745.44 8.324 751
680.69 7.601 64
677.13 7.561 113
676.06 7.549 246
673.88 7.525 1000
671.31 7.496 213
668.81 7.468 62
666.81 7.446 31
666.44 7.442 31
665.94 7.436 34
665.19 7.428 35