1-(2-Chlorophenyl)piperazine(39512-50-0) IR1
Product Name1-(2-Chlorophenyl)piperazine
CAS39512-50-0
Molecular FormulaC10H13ClN2
Molecular Weight196.68
InChIInChI=1S/C10H13ClN2/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey PWZDJIUQHUGFRJ-UHFFFAOYSA-N
SmilesN1(C2=CC=CC=C2Cl)CCNCC1
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MassMS-NW-8604 1-(o-chlorophenyl)piperazine C10H13ClN2 (Mass of molecular ion: 196)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 1.8 28.0 6.8 29.0 5.6 30.0 3.7 39.0 1.2 41.0 1.5 42.0 3.7 43.0 1.0 44.0 1.1 50.0 1.8 51.0 3.2 54.0 1.0 56.0 12.9 57.0 9.4 63.0 1.3 75.0 5.2 76.0 1.4 77.0 6.7 78.0 1.0 89.0 1.0 91.0 2.1 98.0 1.0 104.0 1.8 111.0 6.8 113.0 2.3 117.0 1.4 118.0 1.8 119.0 1.2 125.0 5.0 127.0 1.8 132.0 4.4 138.0 11.7 139.0 12.9 140.0 9.8 141.0 5.7 142.0 2.1 154.0 100.0 155.0 9.4 156.0 32.4 157.0 3.0 160.0 4.1 161.0 11.5 162.0 1.4 196.0 18.6 197.0 2.4 198.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H13 Cl N2 0.05 ml : 0.5 ml CDCl3 1-(o-chlorophenyl)piperazine 
Assign. Shift(ppm)
A 7.337 B 7.196 C 7.016 D 6.942 E 3.01 F 2.02
Hz ppm Int.2937.50 7.351 280 2935.91 7.347 321 2929.57 7.331 316 2927.98 7.327 353 2885.13 7.220 150 2883.54 7.216 156 2877.81 7.201 192 2877.08 7.200 235 2876.22 7.197 229 2875.61 7.196 242 2869.75 7.181 217 2868.16 7.177 219 2808.47 7.028 272 2807.01 7.024 334 2800.42 7.008 241 2798.95 7.004 269 2782.71 6.963 209 2781.13 6.959 209 2775.27 6.945 211 2774.78 6.944 253 2773.80 6.941 237 2773.32 6.940 253 2767.46 6.925 172 2765.87 6.921 167 1212.89 3.035 199 1211.06 3.031 272 1208.86 3.025 386 1206.05 3.018 509 1202.76 3.010 1000 1197.39 2.997 750 1191.65 2.982 380 808.72 2.024 150
in CDCl3
liquid film
4880 A,200 M,liquid
