間三聯(lián)苯(92-06-8)紅外圖譜(IR1)
InChI:InChI=1S/C18H14/c1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16/h1-14H
InChIKey: YJTKZCDBKVTVBY-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC(C3=CC=CC=C3)=C2)=CC=CC=C1
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Mass
MS-NW-8176
m-terphenyl
C18H14 (Mass of molecular ion: 230)
Source Temperature: 160 °C
Sample Temperature: 120 °C
Direct, 75 eV
51.0 1.4
63.0 1.1
75.0 1.0
76.0 1.5
77.0 1.1
88.0 1.7
89.0 1.2
94.5 1.0
100.0 1.2
101.0 4.5
102.0 1.2
107.5 1.3
113.0 3.3
113.5 1.1
114.0 2.6
115.0 9.1
115.5 1.5
128.0 1.6
151.0 2.0
152.0 3.8
153.0 1.7
189.0 1.2
202.0 4.2
203.0 1.6
215.0 3.5
226.0 5.2
227.0 4.7
228.0 11.8
229.0 10.4
230.0 100.0
231.0 19.6
232.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C18 H14
|
16.4 mg : 0.5 ml CDCl3
|
| m-terphenyl
|
 |
Assign. Shift(ppm)
A 7.808
B 7.647
C 7.572
D 7.512
E 7.458
F 7.370
J(A,C)=2.1HZ. J(A,D)=0.7HZ.
|
Hz ppm Int.
3122.68 7.814 180
3122.19 7.813 185
3120.85 7.809 358
3120.36 7.808 329
3119.02 7.805 223
3118.53 7.804 184
3068.97 7.680 30
3068.12 7.678 34
3066.04 7.672 41
3065.43 7.671 44
3061.52 7.661 655
3060.18 7.658 862
3058.11 7.652 331
3053.96 7.642 441
3053.10 7.640 930
3052.37 7.638 716
3051.88 7.637 779
3050.90 7.634 240
3049.80 7.632 226
3033.08 7.590 203
3031.37 7.586 351
3029.54 7.581 227
3028.08 7.577 42
3027.71 7.576 42
3025.02 7.570 441
3024.41 7.568 449
3023.19 7.565 456
3022.58 7.564 419
3008.18 7.528 297
3007.69 7.526 261
3001.71 7.511 194
3001.22 7.510 177
2999.51 7.506 145
2998.90 7.504 126
2993.04 7.490 124
2992.55 7.488 113
2990.36 7.483 152
2989.38 7.480 354
2988.53 7.478 491
2986.82 7.474 209
2981.32 7.460 1000
2980.10 7.457 523
2975.10 7.445 305
2973.51 7.441 567
2971.56 7.436 130
2952.51 7.388 223
2951.17 7.385 404
2949.95 7.382 227
2945.80 7.371 178
2943.85 7.367 433
2941.77 7.361 152
2937.74 7.351 126
2936.52 7.348 192
2935.18 7.345 103
2934.20 7.342 34
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| 1H NMR |
89.56 MHz |
| C18 H14
|
0.016 g : 0.5 ml CDCl3
|
| m-terphenyl
|
|
Assign. Shift(ppm)
A 7.80
B 7.64
C 7.58 to 7.23
|
Hz ppm Int.
700.88 7.826 115
699.63 7.812 206
698.94 7.805 184
698.38 7.798 269
697.38 7.787 187
696.63 7.779 173
690.06 7.706 278
687.88 7.681 306
686.50 7.666 736
685.56 7.655 222
684.56 7.644 238
684.00 7.638 282
682.69 7.623 258
681.94 7.615 755
680.06 7.594 899
678.06 7.572 264
676.81 7.558 690
676.44 7.553 670
675.13 7.539 1000
674.25 7.529 508
673.56 7.521 306
672.94 7.514 389
671.88 7.503 248
671.31 7.496 322
668.63 7.466 615
667.75 7.456 669
665.94 7.436 322
664.50 7.420 393
662.00 7.392 866
660.56 7.376 799
657.13 7.338 199
655.63 7.321 146
ANION RADICAL, REDUCTION WITH LI OR NA METAL