4-Methylbenzhydrol(1517-63-1) IR2
Product Name4-Methylbenzhydrol
CAS1517-63-1
Molecular FormulaC14H14O
Molecular Weight198.26
InChIInChI=1S/C14H14O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14-15H,1H3
InChIKey IHASOVONMUHDND-UHFFFAOYSA-N
SmilesC1(=CC=C(C)C=C1)C(O)C1=CC=CC=C1
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MassMS-IW-7599 4-methylbenzhydryl alcohol C14H14O (Mass of molecular ion: 198)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
17.0 1.3 18.0 6.1 27.0 1.4 39.0 5.6 41.0 1.6 50.0 2.9 51.0 10.2 52.0 2.1 53.0 1.6 62.0 1.4 63.0 5.3 64.0 1.7 65.0 11.9 74.0 1.3 75.0 1.9 76.0 5.6 77.0 40.9 78.0 10.4 79.0 9.6 82.0 2.3 82.5 2.6 83.0 2.3 84.0 2.1 85.0 1.1 88.0 1.3 89.0 10.4 89.5 1.8 90.0 5.8 91.0 40.3 92.0 51.1 93.0 38.0 94.0 2.8 98.0 1.1 102.0 1.0 103.0 1.5 104.0 2.5 105.0 91.0 106.0 8.6 107.0 7.6 115.0 3.5 119.0 100.0 120.0 16.7 121.0 19.9 122.0 1.8 127.0 1.2 128.0 2.3 139.0 1.9 141.0 1.9 151.0 1.9 152.0 7.6 153.0 3.9 154.0 2.5 155.0 1.2 163.0 1.2 164.0 1.6 165.0 24.2 166.0 13.2 167.0 37.4 168.0 5.7 169.0 3.1 176.0 1.5 177.0 1.3 178.0 6.3 179.0 5.5 180.0 3.1 181.0 20.4 182.0 32.3 183.0 42.4 184.0 5.8 195.0 1.2 196.0 18.7 197.0 25.1 198.0 95.7 199.0 14.5 200.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H14 O 0.039 g : 0.5 ml CDCl3 4-methylbenzhydryl alcohol 
Assign. Shift(ppm)
A 7.34 B 7.31 C 7.23 D 7.227 E 7.121 F 5.75 G 2.32 J 2.310 J(F,G)=3.5HZ
Hz ppm Int.2940.55 7.358 92 2938.96 7.354 127 2938.48 7.353 135 2936.89 7.349 51 2936.28 7.348 47 2931.76 7.336 309 2930.66 7.334 281 2926.76 7.324 175 2925.90 7.322 253 2923.83 7.316 66 2919.68 7.306 216 2918.82 7.304 350 2917.24 7.300 133 2912.84 7.289 81 2911.01 7.284 134 2909.42 7.280 33 2899.05 7.254 77 2897.46 7.250 131 2895.75 7.246 82 2892.82 7.239 288 2890.99 7.234 193 2886.47 7.223 127 2884.77 7.219 384 2849.24 7.130 297 2841.43 7.110 215 2300.05 5.756 125 2297.49 5.749 128 929.57 2.326 160 926.15 2.318 195 923.34 2.311 1000
in CDCl3
KBr disc
nujol mull
