Phenethyl chloride(622-24-2) 13C NMR
Product NamePhenethyl chloride
CAS622-24-2
Molecular FormulaC8H9Cl
Molecular Weight140.61
InChIInChI=1S/C8H9Cl/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey MNNZINNZIQVULG-UHFFFAOYSA-N
SmilesC1(CCCl)=CC=CC=C1
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MassMS-NW-0830 (2-chloroethyl)benzene C8H9Cl (Mass of molecular ion: 140)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.8 39.0 3.9 50.0 3.4 51.0 7.8 52.0 1.7 63.0 2.5 65.0 5.9 74.0 1.1 77.0 6.2 78.0 3.2 79.0 1.8 89.0 1.2 91.0 100.0 92.0 7.8 103.0 3.7 104.0 2.5 105.0 3.0 140.0 14.8 141.0 1.3 142.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C8 H9 Cl 0.05 ml : 0.5 ml CDCl3 (2-chloroethyl)benzene 
Assign. Shift(ppm)
A 7.25 to 7.20 B 3.66 C 3.03
Hz ppm Int.664.25 7.417 30 660.19 7.372 53 658.13 7.349 58 657.06 7.337 98 656.19 7.327 97 655.13 7.315 99 651.81 7.278 300 650.31 7.262 395 648.38 7.240 1000 646.13 7.215 902 642.31 7.172 183 641.69 7.165 197 639.06 7.136 146 637.50 7.119 114 634.31 7.083 51 339.25 3.788 32 336.19 3.754 219 335.19 3.743 205 333.19 3.721 47 328.13 3.664 431 324.31 3.622 60 321.31 3.588 365 320.63 3.581 318 277.50 3.099 308 273.94 3.059 63 273.75 3.057 63 270.31 3.019 398 265.69 2.967 37 263.13 2.939 159 262.56 2.932 155
in CDCl3
liquid film
4880 A,100M,liquid
