聯(lián)苯-4-甲酰氯(14002-51-8)核磁圖(13CNMR)
InChI:InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey: JPVUWCPKMYXOKW-UHFFFAOYSA-N
Smiles:C(Cl)(C1=CC=C(C2=CC=CC=C2)C=C1)=O
-
Mass
MS-IW-0590
4-biphenylcarbonyl chloride
C13H9ClO (Mass of molecular ion: 216)
Source Temperature: 140 °C
Sample Temperature: 110 °C
Direct, 75 eV
51.0 1.4
63.0 2.7
75.0 1.8
75.5 2.2
76.0 11.3
76.5 3.8
77.0 1.9
90.5 4.4
94.0 1.1
102.0 1.0
126.0 1.6
127.0 2.2
150.0 2.0
151.0 7.6
152.0 29.8
153.0 28.7
154.0 3.7
181.0 100.0
182.0 14.5
183.0 1.2
216.0 26.0
217.0 3.8
218.0 8.7
219.0 1.2
90 MHz in CDCl3
400 MHz in CDCl3
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| 1H NMR |
89.56 MHz |
| C13 H9 Cl O
|
0.045 g : 0.5 ml CDCl3
|
| 4-biphenylcarbonyl chloride
|
 |
Assign. Shift(ppm)
A 8.158
B 7.70
C 7.62
D 7.49
E 7.42
C,D AND E WERE CONFIRMED BY LAOCN PROGRAM.
400MHZ : HSP-41-772
|
Hz ppm Int.
737.75 8.238 89
735.81 8.216 735
735.25 8.210 413
733.81 8.194 243
729.06 8.141 268
727.00 8.118 994
725.13 8.097 160
695.56 7.767 154
693.69 7.746 1000
691.63 7.723 302
689.94 7.704 115
688.56 7.689 189
686.94 7.671 341
685.44 7.654 561
684.88 7.648 781
683.94 7.637 339
681.19 7.606 327
680.06 7.594 553
678.44 7.576 619
675.19 7.539 280
673.88 7.525 303
673.06 7.516 233
671.44 7.498 562
670.75 7.490 538
669.38 7.475 438
668.38 7.463 284
667.06 7.449 358
665.94 7.436 506
663.69 7.411 540
-
| 1H NMR |
399.65 MHz |
| C13 H9 Cl O
|
saturated in CDCl3
|
| 4-biphenylcarbonyl chloride
|
|
Assign. Shift(ppm)
A 8.196
B 7.711
C 7.648
D 7.485
E 7.420
90MHZ : HSP-02-728
|
Hz ppm Int.
3285.03 8.220 31
3283.81 8.217 46
3281.86 8.212 155
3280.03 8.208 819
3278.08 8.203 368
3275.63 8.197 71
3275.02 8.195 69
3273.32 8.191 295
3271.36 8.186 1000
3269.65 8.182 225
3267.58 8.177 47
3266.72 8.174 33
3091.43 7.736 31
3090.94 7.735 37
3089.84 7.732 45
3087.65 7.726 161
3085.82 7.722 861
3083.86 7.717 336
3081.42 7.711 71
3081.05 7.710 69
3079.22 7.705 281
3077.15 7.700 854
3075.44 7.696 181
3073.61 7.691 61
3072.88 7.689 50
3072.39 7.688 45
3072.02 7.687 47
3071.41 7.686 43
3070.56 7.684 43
3069.95 7.682 41
3069.70 7.681 41
3068.85 7.679 45
3067.87 7.677 45
3067.02 7.675 51
3066.04 7.672 52
3064.94 7.670 64
3062.13 7.663 428
3060.67 7.659 641
3058.72 7.654 212
3055.05 7.645 288
3054.69 7.644 290
3053.71 7.641 615
3053.22 7.640 555
3052.49 7.638 590
3050.42 7.633 113
3048.71 7.629 37
3005.37 7.521 30
3004.03 7.517 31
3003.30 7.515 39
3002.69 7.514 43
3000.61 7.509 206
2999.51 7.506 342
2997.80 7.502 154
2996.34 7.498 78
2992.43 7.488 699
2990.97 7.484 388
2988.16 7.477 68
2986.21 7.473 213
2984.74 7.469 426
2984.25 7.468 376
2981.32 7.460 77
2980.10 7.457 45
2979.74 7.456 41
2979.13 7.455 37
2978.39 7.453 31
2977.66 7.451 34
2976.81 7.449 37
2976.32 7.448 32
2975.95 7.447 34
2975.22 7.445 37
2974.37 7.443 44
2972.05 7.437 184
2970.70 7.434 326
2969.36 7.430 200
2967.04 7.425 42
2966.67 7.424 40
2965.70 7.421 121
2963.38 7.415 356
2961.06 7.410 93
2959.72 7.406 34
2957.40 7.400 72
2956.18 7.397 119
2954.83 7.394 71
2954.10 7.392 37