2,3,5,6-四氟苯肼(653-11-2)質(zhì)譜(MS)
InChI:InChI=1S/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2
InChIKey: TYMFVEOXNZYYTF-UHFFFAOYSA-N
Smiles:N(C1=C(F)C(F)=CC(F)=C1F)N
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Mass
MS-NW-6754
2,3,5,6-tetrafluorophenylhydrazine
C6H4F4N2 (Mass of molecular ion: 180)
Source Temperature: 200 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
28.0 4.0
29.0 5.5
30.0 3.1
31.0 8.4
51.0 1.9
56.0 1.5
57.0 1.0
61.0 1.4
63.0 1.1
68.0 2.1
69.0 5.7
70.0 1.7
74.0 1.3
75.0 6.0
79.0 1.5
80.0 3.5
81.0 8.1
82.0 1.8
86.0 1.1
87.0 1.7
90.0 2.7
93.0 3.4
94.0 1.2
98.0 1.0
99.0 9.7
100.0 1.7
101.0 2.9
106.0 2.0
111.0 1.9
112.0 1.6
113.0 6.8
114.0 1.7
117.0 2.1
118.0 2.5
119.0 2.0
130.0 2.2
131.0 3.4
132.0 2.1
133.0 2.4
134.0 1.9
137.0 54.9
138.0 3.6
144.0 2.5
149.0 2.6
150.0 12.8
151.0 1.4
161.0 1.2
163.0 5.5
164.0 22.2
165.0 10.6
178.0 1.2
179.0 4.1
180.0 100.0
181.0 7.5
90 MHz in CDCl3
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C6 H4 F4 N2
|
0.043 g : 0.5 ml CDCl3
|
| 2,3,5,6-tetrafluorophenylhydrazine
|
 |
Assign. Shift(ppm)
A 6.561
B 5.37
C 3.95
|
Hz ppm Int.
604.81 6.754 251
597.56 6.673 471
594.81 6.642 515
590.38 6.593 260
587.63 6.562 1000
584.81 6.530 254
584.00 6.521 25
580.38 6.481 481
577.63 6.450 503
570.44 6.370 241
481.00 5.371 48
353.31 3.945 232
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| 1H NMR |
399.65 MHz |
| C6 H4 F4 N2
|
0.041 g : 0.5 ml DMSO-d6
|
| 2,3,5,6-tetrafluorophenylhydrazine
|
|
Assign. Shift(ppm)
A 6.945
B 6.85
C 4.44
|
Hz ppm Int.
2793.70 6.991 251
2791.02 6.984 32
2789.43 6.980 42
2786.62 6.973 492
2782.96 6.964 492
2779.42 6.955 282
2775.88 6.946 909
2772.22 6.937 270
2768.68 6.928 463
2765.14 6.919 465
2761.11 6.909 34
2758.06 6.902 223
2738.40 6.852 427
1775.15 4.442 1000