4-苯基苯甲酸(92-92-2)紅外圖譜(IR2)
InChI:InChI=1S/C13H10O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,14,15)
InChIKey: NNJMFJSKMRYHSR-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2)=CC=C(C(O)=O)C=C1
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Mass
MS-NW-7055
4-biphenylcarboxylic acid
C13H10O2 (Mass of molecular ion: 198)
Source Temperature: 200 °C
Sample Temperature: 110 °C
Direct, 75 eV
18.0 1.9
39.0 1.6
50.0 2.8
51.0 3.9
62.0 1.4
63.0 3.8
74.0 2.4
75.0 3.4
75.5 1.9
76.0 9.5
76.5 2.7
77.0 3.5
85.0 5.0
87.0 1.1
90.5 2.5
99.0 1.8
101.0 1.3
102.0 2.5
115.0 1.7
126.0 2.9
127.0 3.6
141.0 1.0
150.0 2.7
151.0 8.4
152.0 29.9
153.0 20.4
154.0 2.9
170.0 2.1
181.0 43.8
182.0 6.7
198.0 100.0
199.0 14.7
200.0 1.5
90 MHz in DMSO-d6
400 MHz in DMSO-d6
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| 1H NMR |
89.56 MHz |
| C13 H10 O2
|
0.040 g : 0.5 ml DMSO-d6
|
| 4-biphenylcarboxylic acid
|
 |
Assign. Shift(ppm)
A 13.
B 8.057
C 7.81
D 7.75
E 7.63 to 7.42
|
Hz ppm Int.
727.34 8.122 492
725.46 8.101 196
723.67 8.081 71
720.76 8.048 275
718.71 8.025 996
717.18 8.008 257
713.93 7.972 53
713.59 7.968 51
713.33 7.965 51
709.31 7.920 44
708.63 7.913 47
704.61 7.868 259
703.08 7.851 1000
701.03 7.828 327
699.06 7.806 337
696.41 7.776 407
694.36 7.754 695
691.03 7.716 612
689.23 7.696 583
686.24 7.663 140
684.70 7.646 91
683.25 7.629 153
681.46 7.609 112
678.81 7.580 209
677.10 7.561 166
674.02 7.526 522
671.46 7.498 384
668.73 7.467 714
666.85 7.446 722
664.62 7.421 197
662.57 7.399 122
659.16 7.360 51
658.81 7.357 52
658.30 7.351 59
656.51 7.331 50
654.88 7.313 41
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| 1H NMR |
399.65 MHz |
| C13 H10 O2
|
0.038 g : 0.5 ml DMSO-d6
|
| 4-biphenylcarboxylic acid
|
|
Assign. Shift(ppm)
A 13.0
B 8.071
C 7.816
D 7.750
E 7.516
F 7.443
|
Hz ppm Int.
5215.85 13.052 55
3230.51 8.084 847
3222.08 8.063 1000
3127.75 7.827 987
3119.33 7.806 833
3101.19 7.760 506
3099.91 7.757 668
3092.77 7.739 757
3012.17 7.538 347
3010.52 7.533 156
3005.03 7.520 787
2997.15 7.500 508
2981.22 7.460 317
2975.91 7.447 149
2973.89 7.442 404
2971.69 7.436 107
2966.56 7.423 129