2-Chlorophenethylamine(13078-80-3) 1H NMR
Product Name2-Chlorophenethylamine
CAS13078-80-3
Molecular FormulaC8H10ClN
Molecular Weight155.62
InChIInChI=1S/C8H10ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
InChIKey RZBOMSOHMOVUES-UHFFFAOYSA-N
SmilesC1(CCN)=CC=CC=C1Cl
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MassMS-NW-6061 o-chlorophenethylamine C8H10ClN (Mass of molecular ion: 155)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 2.3 30.0 100.0 31.0 1.4 39.0 1.8 51.0 1.4 63.0 2.3 65.0 1.2 77.0 1.0 89.0 3.0 90.0 1.2 91.0 4.1 120.0 5.9 125.0 2.9 126.0 1.0 127.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H10 Cl N 0.05 ml : 0.5 ml CDCl3 o-chlorophenethylamine 
Assign. Shift(ppm)
A 7.326 B 7.200 C 7.17 D 7.12 E 2.938 F 2.854 G 1.47
Hz ppm Int.2932.74 7.339 455 2931.40 7.335 430 2925.17 7.320 620 2923.71 7.316 592 2883.91 7.217 229 2881.71 7.211 303 2876.59 7.198 547 2876.22 7.197 545 2874.39 7.193 705 2871.34 7.185 365 2869.75 7.181 400 2864.14 7.167 709 2862.67 7.163 629 2856.81 7.149 390 2854.74 7.144 578 2852.29 7.137 464 2847.05 7.124 477 2844.97 7.119 449 2839.60 7.106 214 2837.52 7.101 174 1183.23 2.961 399 1181.64 2.957 430 1176.76 2.945 605 1175.54 2.942 898 1175.05 2.941 893 1174.44 2.939 779 1169.07 2.926 944 1168.09 2.923 1000 1150.27 2.879 81 1146.85 2.870 809 1140.38 2.854 862 1133.91 2.838 348 1132.45 2.834 332 587.77 1.471 316
in CDCl3
liquid film
