鄰二苯基苯(84-15-1)質(zhì)譜(MS)
InChI:InChI=1S/C18H14/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16/h1-14H
InChIKey: OIAQMFOKAXHPNH-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2C2=CC=CC=C2)=CC=CC=C1
-
Mass
MS-NW-8149
o-terphenyl
C18H14 (Mass of molecular ion: 230)
Source Temperature: 120 °C
Sample Temperature: 100 °C
Direct, 75 eV
88.0 1.7
94.5 1.6
100.0 2.0
101.0 6.0
101.5 1.1
107.5 3.6
112.0 1.2
112.5 1.0
113.0 6.4
113.5 2.3
114.0 8.2
114.5 2.6
115.0 3.1
151.0 1.1
152.0 1.3
165.0 1.7
176.0 1.0
189.0 1.5
200.0 1.9
201.0 1.8
202.0 7.2
203.0 2.7
213.0 1.5
215.0 22.9
216.0 4.3
224.0 1.3
225.0 1.5
226.0 11.5
227.0 9.3
228.0 24.4
229.0 47.1
230.0 100.0
231.0 18.8
232.0 1.7
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C18 H14
|
0.027 g : 0.5 ml CDCl3
|
| o-terphenyl
|
 |
Assign. Shift(ppm)
A 7.45 to 7.35
B 7.32 to 6.97
|
Hz ppm Int.
665.56 7.432 30
663.50 7.409 952
661.44 7.386 52
651.81 7.278 28
650.06 7.259 27
648.44 7.241 26
645.50 7.208 90
643.75 7.188 201
643.31 7.184 195
641.94 7.168 1000
640.00 7.147 240
639.38 7.140 151
638.75 7.133 130
638.31 7.128 148
636.88 7.112 42
636.44 7.107 42
634.81 7.089 29
633.69 7.076 24
632.69 7.065 35
631.63 7.053 24
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| 1H NMR |
399.65 MHz |
| C18 H14
|
26.9 mg : 0.5 ml CDCl3
|
| o-terphenyl
|
|
Assign. Shift(ppm)
A 7.43
B 7.41
C 7.20
D 7.19
E 7.14
CONFIRMED BY LAOCN PROGRAM
|
Hz ppm Int.
2975.34 7.445 138
2972.78 7.439 82
2971.19 7.435 121
2970.46 7.433 163
2968.14 7.427 352
2966.31 7.423 1000
2965.82 7.422 781
2963.99 7.417 856
2963.50 7.416 913
2961.55 7.411 314
2959.23 7.405 196
2958.62 7.404 136
2957.03 7.400 98
2954.47 7.393 154
2952.15 7.387 33
2889.28 7.230 85
2887.33 7.225 68
2885.38 7.220 169
2883.79 7.216 135
2882.32 7.213 246
2880.62 7.208 465
2880.25 7.207 447
2879.39 7.205 390
2878.54 7.203 350
2876.95 7.199 344
2875.98 7.197 444
2875.37 7.195 548
2874.51 7.193 926
2873.41 7.190 939
2872.92 7.189 1000
2872.19 7.187 666
2870.48 7.183 272
2869.51 7.181 297
2869.02 7.179 276
2867.80 7.176 230
2865.36 7.170 69
2863.28 7.165 113
2862.06 7.162 56
2861.33 7.160 85
2860.47 7.158 93
2858.28 7.152 184
2856.69 7.148 830
2855.47 7.145 281
2854.13 7.142 481
2853.76 7.141 469
2851.93 7.137 331
2850.95 7.134 267
2849.12 7.130 521
2847.17 7.125 491
2845.09 7.119 65
2844.12 7.117 62
ANION RADICAL, REDUCTION WITH LI OR NA METAL