2-(2-Methylphenyl)-benzenemethanol(7111-76-4) 13C NMR
Product Name2-(2-Methylphenyl)-benzenemethanol
CAS7111-76-4
Molecular FormulaC14H14O
Molecular Weight198.26
InChIInChI=1S/C14H14O/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9,15H,10H2,1H3
InChIKey AOMHBKWJLSGNIZ-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2C)=CC=CC=C1CO
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MassMS-KW-0583 2-methylbenzhydryl alcohol C14H14O (Mass of molecular ion: 198)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.0 27.0 2.1 28.0 1.0 29.0 1.2 39.0 7.5 41.0 2.1 50.0 3.1 51.0 12.7 52.0 2.7 53.0 2.1 62.0 1.4 63.0 5.7 64.0 1.9 65.0 14.6 66.0 1.0 74.0 1.2 75.0 2.1 76.0 8.2 76.5 1.3 77.0 45.2 78.0 14.8 79.0 20.9 80.0 1.3 82.0 3.2 82.5 3.8 83.0 2.2 84.0 1.6 88.0 2.2 89.0 12.7 89.5 2.9 90.0 4.7 90.5 1.0 91.0 50.2 92.0 58.0 93.0 40.0 94.0 2.9 99.0 2.9 102.0 1.0 103.0 1.3 104.0 2.0 105.0 76.4 106.0 7.5 107.0 20.0 108.0 1.6 115.0 2.9 119.0 100.0 120.0 21.2 121.0 21.0 122.0 1.7 127.0 1.1 128.0 1.8 139.0 1.4 141.0 1.3 151.0 1.8 152.0 5.0 153.0 2.9 154.0 1.9 155.0 1.3 163.0 1.1 164.0 1.5 165.0 18.8 166.0 7.5 167.0 6.1 168.0 1.0 169.0 1.6 176.0 1.9 177.0 2.0 178.0 10.3 179.0 32.2 180.0 51.2 181.0 14.8 182.0 5.9 183.0 24.5 184.0 4.2 195.0 3.3 196.0 1.9 197.0 18.2 198.0 76.7 199.0 11.6 200.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C14H14O 0.038 g : 0.5 ml CDCl3 2-methylbenzhydryl alcohol 
Assign. Shift(ppm)
A 7.475 B 7.29 C 7.24 D *1 7.22 E *1 7.18 F 7.114 G 5.927 J 2.33 K 2.208
Hz ppm Int.2992.80 7.487 90 2991.22 7.483 98 2985.36 7.468 96 2984.01 7.465 103 2925.54 7.318 32 2924.44 7.316 40 2922.61 7.311 32 2918.83 7.302 82 2916.88 7.297 276 2915.90 7.294 246 2914.92 7.292 292 2914.68 7.291 294 2911.38 7.283 1000 2907.96 7.274 74 2906.13 7.270 76 2904.91 7.267 53 2900.15 7.255 88 2897.59 7.248 82 2896.12 7.245 72 2895.02 7.242 62 2892.71 7.236 90 2891.48 7.233 109 2889.78 7.229 61 2885.75 7.219 123 2884.04 7.215 105 2879.28 7.203 90 2877.20 7.197 129 2875.49 7.193 116 2870.00 7.179 125 2868.29 7.175 123 2862.68 7.161 59 2860.97 7.157 53 2847.30 7.123 119 2846.81 7.121 116 2845.59 7.118 106 2839.85 7.104 75 2838.99 7.102 66 2838.38 7.100 63 2371.34 5.932 149 2367.56 5.923 146 932.26 2.332 239 928.23 2.322 233 882.33 2.208 873
in CDCl3
KBr disk
Nujol
