4-Phenylphenol(92-69-3) Raman
Product Name4-Phenylphenol
CAS92-69-3
Molecular FormulaC12H10O
Molecular Weight170.21
InChIInChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
InChIKey YXVFYQXJAXKLAK-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(O)C=C1
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MassMS-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
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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
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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
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
