2-氟-5-硝基甲苯(455-88-9)質(zhì)譜(MS)
InChI:InChI=1S/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey: XUCYJGMIICONES-UHFFFAOYSA-N
Smiles:C1(F)=CC=C([N+]([O-])=O)C=C1C
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Mass
MS-NW-6616
2-fluoro-5-nitrotoluene
C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 260 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
18.0 1.6
27.0 1.6
28.0 3.2
30.0 8.7
31.0 3.8
33.0 1.0
37.0 1.9
38.0 2.9
39.0 11.1
46.0 1.0
50.0 5.7
51.0 7.9
52.0 1.1
56.0 1.8
57.0 19.1
58.0 1.1
59.0 6.8
61.0 3.0
62.0 6.2
63.0 15.0
64.0 1.7
65.0 1.3
68.0 1.5
69.0 1.4
70.0 1.8
71.0 1.2
74.0 2.4
75.0 2.7
77.0 8.0
78.0 1.0
80.0 1.4
81.0 7.8
82.0 3.0
83.0 63.6
84.0 4.0
85.0 1.4
86.0 1.7
87.0 1.7
89.0 8.0
90.0 1.0
91.0 1.3
95.0 5.8
96.0 3.1
97.0 15.6
98.0 1.0
105.0 1.5
107.0 16.0
108.0 8.5
109.0 100.0
110.0 8.0
125.0 30.8
126.0 2.6
139.0 3.3
154.0 1.4
155.0 96.1
156.0 8.1
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C7 H6 F N O2
|
0.044 g : 0.5 ml CDCl3
|
| 2-fluoro-5-nitrotoluene
|
 |
Assign. Shift(ppm)
A 8.134
B 8.089
C 7.149
D 2.380
|
Hz ppm Int.
3255.62 8.147 134
3255.13 8.145 135
3252.69 8.139 168
3252.20 8.138 169
3249.15 8.130 129
3248.66 8.129 130
3246.22 8.123 164
3245.73 8.122 164
3240.72 8.109 118
3240.11 8.108 117
3237.79 8.102 96
3237.18 8.101 110
3236.33 8.098 133
3235.72 8.097 124
3233.40 8.091 89
3232.79 8.090 95
3231.81 8.087 119
3231.20 8.086 114
3228.88 8.080 99
3228.27 8.078 112
3227.42 8.076 124
3226.81 8.075 112
3224.49 8.069 82
3223.88 8.067 76
2865.60 7.171 228
2857.06 7.149 386
2848.14 7.127 207
963.62 2.412 31
961.67 2.407 38
961.30 2.406 39
960.94 2.405 40
952.39 2.384 1000
950.20 2.378 923
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| 1H NMR |
89.56 MHz |
| C7 H6 F N O2
|
0.048 g : 0.5 ml CDCl3
|
| 2-fluoro-5-nitrotoluene
|
|
Assign. Shift(ppm)
A 8.14
B 8.06
C 7.12
D 2.37
|
Hz ppm Int.
732.94 8.184 63
731.19 8.165 309
730.50 8.157 337
729.25 8.143 139
728.50 8.135 75
727.44 8.123 48
726.44 8.112 164
725.63 8.103 289
725.25 8.098 251
723.56 8.080 172
722.88 8.072 211
721.19 8.053 49
720.75 8.048 61
720.19 8.042 83
719.56 8.035 98
718.63 8.025 139
718.13 8.019 126
715.75 7.992 64
715.13 7.985 65
649.69 7.255 50
647.69 7.232 126
646.81 7.223 107
640.00 7.147 173
639.56 7.142 202
639.13 7.137 198
638.75 7.133 173
637.06 7.114 98
632.13 7.059 42
629.81 7.033 116
214.00 2.390 952
212.56 2.374 596
211.81 2.366 1000