4-Biphenylcarboxylic acid(92-92-2) MS
Product Name4-Biphenylcarboxylic acid
CAS92-92-2
Molecular FormulaC13H10O2
Molecular Weight198.22
InChIInChI=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
SmilesC1(C2=CC=CC=C2)=CC=C(C(O)=O)C=C1
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MassMS-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
KBr disc
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