1-(2-Chlorophenyl)-1-ethanol(13524-04-4) IR1
Product Name1-(2-Chlorophenyl)-1-ethanol
CAS13524-04-4
Molecular FormulaC8H9ClO
Molecular Weight156.61
InChIInChI=1S/C8H9ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3
InChIKey DDUBOVLGCYUYFX-UHFFFAOYSA-N
SmilesC1(C(O)C)C=CC=CC=1Cl
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MassMS-IW-6460 2-chloro-alpha-methylbenzyl alcohol C8H9ClO (Mass of molecular ion: 156)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.6 27.0 2.0 29.0 1.3 38.0 1.8 39.0 3.2 43.0 18.3 45.0 4.2 50.0 8.0 51.0 18.1 52.0 2.7 61.0 1.0 62.0 1.5 63.0 3.1 65.0 1.8 70.5 7.9 71.5 2.5 73.0 1.4 74.0 4.1 75.0 9.7 76.0 4.5 77.0 80.1 78.0 7.3 85.0 1.1 89.0 1.3 91.0 3.2 101.0 3.1 102.0 5.0 103.0 23.0 104.0 2.6 105.0 5.6 111.0 4.7 112.0 6.3 113.0 24.3 114.0 3.5 115.0 7.6 121.0 3.6 125.0 1.0 137.0 1.1 138.0 19.1 139.0 10.2 140.0 7.2 141.0 100.0 142.0 8.0 143.0 31.8 144.0 2.5 155.0 1.2 156.0 16.8 157.0 1.8 158.0 5.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 Cl O 0.05 ml : 0.5 ml CDCl3 2-chloro-alpha-methylbenzyl alcohol 
Assign. Shift(ppm)
A 7.526 B 7.278 C 7.240 D 7.153 E 5.219 F 2.90 G 1.416
Hz ppm Int.3012.70 7.539 154 3010.99 7.535 154 3005.00 7.520 178 3003.30 7.515 174 2913.70 7.291 171 2912.35 7.288 187 2905.52 7.271 220 2904.42 7.268 255 2902.10 7.262 97 2901.61 7.261 97 2900.76 7.259 94 2900.27 7.258 86 2894.29 7.243 199 2893.07 7.240 179 2886.96 7.224 119 2886.60 7.223 121 2885.62 7.221 104 2866.09 7.172 150 2864.26 7.167 150 2858.40 7.153 172 2856.57 7.148 160 2850.83 7.134 80 2849.12 7.130 75 2095.46 5.244 62 2089.11 5.228 181 2082.64 5.212 181 2076.17 5.195 62 569.46 1.425 1000 562.99 1.409 971
in CDCl3
liquid film
