2-Biphenylcarboxylic acid(947-84-2) Raman
Product Name2-Biphenylcarboxylic acid
CAS947-84-2
Molecular FormulaC13H10O2
Molecular Weight198.22
InChIInChI=1S/C13H10O2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey ILYSAKHOYBPSPC-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC=C1C(O)=O
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MassMS-NW-6274 2-biphenylcarboxylic acid C13H10O2 (Mass of molecular ion: 198)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.3 18.0 5.2 27.0 1.5 38.0 1.2 39.0 4.8 44.0 2.1 45.0 1.1 50.0 4.3 51.0 7.2 52.0 1.7 61.0 1.2 62.0 2.5 63.0 6.7 64.0 1.4 65.0 2.7 70.0 1.5 71.0 1.2 74.0 4.5 75.0 5.1 75.5 2.5 76.0 14.7 76.5 2.9 77.0 8.1 78.0 1.6 84.0 1.9 86.0 1.6 87.0 2.1 89.0 1.8 90.5 3.0 91.0 1.7 92.0 1.9 93.0 1.3 94.0 6.7 98.0 1.9 99.0 4.0 101.0 2.0 102.0 2.5 104.0 1.9 105.0 2.0 106.0 1.7 113.0 1.0 115.0 6.1 122.0 2.1 123.0 8.1 125.0 1.0 126.0 5.0 127.0 4.5 128.0 1.2 139.0 2.6 141.0 6.1 142.0 2.3 150.0 4.3 151.0 13.0 152.0 42.5 153.0 32.6 154.0 7.6 155.0 1.1 168.0 1.1 169.0 3.0 170.0 1.5 180.0 6.8 181.0 78.5 182.0 11.7 183.0 1.2 197.0 42.9 198.0 100.0 199.0 14.5 200.0 1.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H10 O2 0.040 g : 0.5 ml CDCl3 2-biphenylcarboxylic acid 
Assign. Shift(ppm)
A 11.0 B 7.927 C 7.532 D 7.39 E 7.35 F 7.38 to 7.30
Hz ppm Int.3172.63 7.939 241 3171.16 7.935 262 3164.75 7.919 259 3163.47 7.916 270 3018.77 7.554 138 3017.30 7.550 147 3013.46 7.541 34 3011.26 7.535 313 3009.79 7.532 322 3003.56 7.516 226 3002.10 7.512 213 2962.72 7.414 203 2961.44 7.411 234 2958.87 7.404 44 2955.21 7.395 311 2953.93 7.392 351 2952.28 7.388 129 2950.81 7.384 88 2949.71 7.381 157 2947.52 7.376 217 2946.23 7.373 259 2945.13 7.370 253 2942.94 7.364 280 2941.10 7.360 532 2939.82 7.356 460 2937.81 7.351 326 2936.53 7.348 617 2935.79 7.346 644 2933.41 7.340 550 2932.13 7.337 634 2928.10 7.327 1000 2926.63 7.323 469 2924.25 7.318 195 2921.87 7.312 255 2920.77 7.309 242 2920.22 7.307 231 2919.12 7.305 203 2918.03 7.302 146 2916.38 7.298 52
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1H NMR 89.56 MHz C13 H10 O2 0.044 g : 0.5 ml CDCl3 2-biphenylcarboxylic acid Assign. Shift(ppm)
A 11.49 B 7.925 C 7.51 D 7.38 E 7.35 F 7.34 C,D AND E WERE CONFIRMED BY LAOCN PROGRAM. 400MHZ : HSP-41-746
Hz ppm Int.715.30 7.987 45 713.59 7.968 80 712.39 7.955 39 708.80 7.915 39 707.60 7.901 52 706.32 7.887 79 705.55 7.878 86 676.59 7.555 81 673.25 7.518 53 669.75 7.479 140 668.98 7.470 77 667.70 7.456 117 666.67 7.444 136 661.55 7.387 148 660.52 7.376 185 659.92 7.369 182 659.16 7.360 163 656.93 7.336 1000 654.71 7.311 126 654.37 7.307 134 653.69 7.299 90 652.40 7.285 55 651.55 7.276 62
in CDCl3
KBr disc
nujol mull
