1-Chloro-3-phenylpropane(104-52-9) 1H NMR
Product Name1-Chloro-3-phenylpropane
CAS104-52-9
Molecular FormulaC9H11Cl
Molecular Weight154.64
InChIInChI=1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKey XZBXAYCCBFTQHH-UHFFFAOYSA-N
SmilesC1(CCCCl)=CC=CC=C1
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MassMS-NW-9666 (3-chloropropyl)benzene C9H11Cl (Mass of molecular ion: 154)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
39.0 2.8 41.0 1.2 50.0 1.0 51.0 2.5 63.0 1.9 65.0 6.7 77.0 2.8 78.0 2.2 79.0 1.6 89.0 2.2 91.0 100.0 92.0 29.2 93.0 1.9 103.0 2.0 105.0 5.8 115.0 2.7 117.0 5.2 118.0 3.0 119.0 1.8 126.0 2.6 154.0 23.9 155.0 2.4 156.0 7.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 Cl 0.05 ml : 0.5 ml CDCl3 (3-chloropropyl)benzene 
Assign. Shift(ppm)
A 7.23 to 7.19 B 3.478 C 2.74 D 2.05
Hz ppm Int.662.06 7.393 35 661.44 7.386 31 658.88 7.357 52 657.94 7.347 33 656.94 7.336 46 656.06 7.326 75 653.81 7.301 90 651.25 7.272 238 650.25 7.261 201 649.31 7.251 208 646.56 7.220 1000 644.75 7.200 870 641.81 7.167 229 640.00 7.147 206 638.25 7.127 120 637.19 7.115 116 634.06 7.080 44 632.75 7.066 42 631.44 7.051 37 318.31 3.555 333 316.19 3.531 51 315.75 3.526 50 311.88 3.483 751 308.06 3.440 55 305.44 3.411 414 253.50 2.831 157 251.38 2.807 39 246.81 2.756 378 245.06 2.737 188 242.75 2.711 55 242.31 2.706 55 239.00 2.669 278 197.00 2.200 84 196.00 2.189 87 190.44 2.127 218 188.75 2.108 185 187.00 2.088 49 183.81 2.053 205 182.31 2.036 285 177.63 1.984 86 175.81 1.964 179 169.56 1.894 49 168.38 1.881 45
in CDCl3
liquid film
