2-Methyl-3-biphenylmethanol(76350-90-8) MS
Product Name2-Methyl-3-biphenylmethanol
CAS76350-90-8
Molecular FormulaC14H14O
Molecular Weight198.26
InChIInChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
InChIKey BGTLHJPGBIVQLJ-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC(CO)=C1C
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MassMS2015-05117CW (2-methyl-3-biphenylyl)methanol C14H14O (Mass of molecular ion: 198)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
28.0 1.2 39.0 1.8 51.0 2.8 63.0 2.9 65.0 2.1 74.0 1.0 75.0 1.5 76.0 4.3 77.0 6.4 78.0 1.2 82.0 1.5 82.5 3.1 87.0 1.2 88.0 1.4 89.0 9.8 90.0 2.6 91.0 4.9 91.5 1.0 93.0 1.3 98.0 1.1 102.0 1.8 113.0 1.0 115.0 7.4 116.0 1.0 121.0 1.0 126.0 1.7 127.0 3.0 128.0 5.7 129.0 2.5 139.0 4.8 141.0 3.6 150.0 1.3 151.0 4.6 152.0 22.8 153.0 12.1 154.0 10.8 155.0 26.6 156.0 3.5 163.0 3.0 164.0 3.8 165.0 100.0 166.0 21.1 167.0 14.5 168.0 2.7 169.0 10.2 170.0 1.5 176.0 2.3 177.0 2.1 178.0 15.7 179.0 38.4 180.0 71.1 181.0 12.4 182.0 2.0 183.0 11.6 184.0 1.7 196.0 1.3 197.0 1.9 198.0 69.4 199.0 10.5
in DMSO-d6
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H14 O 0.038 g : 0.5 ml CDCl3 (2-methyl-3-biphenylyl)methanol 
Assign. Shift(ppm)
A 7.39 B 7.37 C 7.336 D 7.279 E 7.237 F 7.188 G 4.729 J 2.215 K 1.94
Hz ppm Int.2965.45 7.421 69 2964.11 7.417 123 2962.52 7.413 57 2959.11 7.405 82 2957.28 7.400 272 2955.69 7.396 184 2953.49 7.391 41 2951.17 7.385 134 2949.83 7.382 329 2948.97 7.379 256 2941.77 7.361 122 2940.67 7.359 126 2938.72 7.354 95 2937.26 7.350 158 2935.79 7.346 109 2932.37 7.338 58 2929.81 7.331 153 2927.25 7.325 48 2924.07 7.317 39 2922.61 7.313 59 2921.14 7.310 33 2913.09 7.290 274 2911.50 7.286 362 2909.30 7.280 91 2906.37 7.273 130 2904.79 7.269 238 2903.44 7.265 182 2900.88 7.259 89 2893.07 7.240 165 2876.22 7.197 145 2874.76 7.194 152 2868.53 7.178 78 2867.19 7.175 71 1890.26 4.730 463 885.50 2.216 1000 776.98 1.945 85
in DMSO-d6
in CDCl3
KBr disc
nujol mull
