對(duì)羥基聯(lián)苯(92-69-3)紅外圖譜(IR1)
InChI:InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKey: YXVFYQXJAXKLAK-UHFFFAOYSA-N
Smiles:C1(C2=CC=CC=C2)=CC=C(O)C=C1
-
Mass
MS-NW-4439
biphenyl-4-ol
C12H10O (Mass of molecular ion: 170)
Source Temperature: 240 °C
Sample Temperature: 170 °C
Reservoir, 75 eV
39.0 2.8
50.0 1.4
51.0 2.5
55.0 2.7
57.5 1.1
62.0 1.2
63.0 3.4
65.0 1.4
70.0 1.1
72.0 1.6
74.0 1.1
75.0 1.2
76.0 2.2
77.0 2.0
84.0 2.3
85.0 4.4
89.0 1.9
102.0 1.3
115.0 11.2
116.0 1.7
127.0 1.0
139.0 4.0
140.0 1.3
141.0 16.2
142.0 2.7
151.0 1.3
152.0 2.2
153.0 1.6
155.0 1.0
168.0 2.1
169.0 8.1
170.0 100.0
171.0 13.4
172.0 1.1
400 MHz in CDCl3
90 MHz in CDCl3
-
| 1H NMR |
399.65 MHz |
| C12 H10 O
|
saturated in CDCl3
|
| biphenyl-4-ol
|
 |
Assign. Shift(ppm)
A 7.540
B 7.482
C 7.415
D 7.309
E 6.907
F 4.92
|
Hz ppm Int.
3018.68 7.554 417
3017.46 7.551 524
3015.38 7.546 165
3012.08 7.537 217
3011.23 7.535 323
3010.25 7.533 637
3009.16 7.530 546
3007.81 7.527 89
3007.20 7.525 111
2997.68 7.501 113
2994.63 7.494 917
2992.43 7.488 294
2988.04 7.477 306
2985.96 7.472 944
2982.91 7.464 122
2972.66 7.439 106
2971.56 7.436 283
2970.95 7.434 355
2969.12 7.430 142
2963.62 7.416 657
2962.28 7.413 288
2957.40 7.400 190
2955.81 7.396 367
2928.34 7.328 145
2927.00 7.324 269
2925.78 7.321 141
2921.51 7.311 119
2919.68 7.306 317
2917.72 7.301 100
2913.57 7.291 84
2912.35 7.288 139
2767.46 6.925 114
2764.53 6.918 1000
2762.33 6.912 300
2757.93 6.901 296
2755.86 6.896 874
2752.81 6.889 110
-
| 1H NMR |
89.56 MHz |
| C12 H10 O
|
0.051 g : 0.5 ml CDCl3
|
| biphenyl-4-ol
|
|
Assign. Shift(ppm)
A 7.51
B 7.47
C 7.41
D 7.27
E 6.89
F 4.80
|
Hz ppm Int.
682.75 7.624 35
681.88 7.614 55
680.75 7.602 129
680.00 7.593 123
678.25 7.574 162
677.94 7.570 160
677.44 7.565 137
676.75 7.557 126
676.06 7.549 166
675.50 7.543 154
673.81 7.524 724
671.69 7.500 624
670.38 7.486 752
668.88 7.469 373
667.25 7.451 328
665.00 7.426 1000
664.13 7.416 659
663.13 7.405 637
661.13 7.382 238
659.06 7.359 318
658.25 7.350 238
656.56 7.331 359
655.50 7.320 318
654.56 7.309 249
651.69 7.277 86
651.19 7.271 109
650.44 7.263 115
649.50 7.253 47
645.56 7.209 40
644.50 7.197 33
624.13 6.969 103
621.31 6.938 928
619.00 6.912 280
614.69 6.864 221
612.50 6.839 715
609.63 6.807 73
432.31 4.828 42
429.94 4.801 631