4-Chlorostyrene(1073-67-2) MS
Product Name4-Chlorostyrene
CAS1073-67-2
Molecular FormulaC8H7Cl
Molecular Weight138.59
InChIInChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InChIKey KTZVZZJJVJQZHV-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(C=C)C=C1
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MassMS-NW-2842 4-chlorostyrene C8H7Cl (Mass of molecular ion: 138)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 2.1 37.0 1.1 38.0 1.7 39.0 2.9 49.0 1.2 50.0 8.7 51.0 17.0 52.0 2.4 61.0 1.2 62.0 1.9 63.0 4.2 69.0 1.8 73.0 1.9 74.0 5.0 75.0 10.6 76.0 4.8 77.0 25.3 78.0 2.4 85.0 1.0 99.0 1.1 101.0 10.4 102.0 17.2 103.0 60.6 104.0 5.5 111.0 1.4 112.0 7.0 113.0 1.4 114.0 2.3 136.0 1.6 137.0 7.7 138.0 100.0 139.0 11.3 140.0 32.3 141.0 4.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H7 Cl 0.05 ml : 0.5 ml CDCl3 4-chlorostyrene 
Assign. Shift(ppm)
A *1 7.26 B *1 7.24 C 6.608 D 5.671 E 5.219
Hz ppm Int.2908.57 7.278 121 2906.13 7.272 66 2905.76 7.271 72 2902.22 7.262 117 2899.54 7.256 747 2897.34 7.250 307 2895.75 7.246 1000 2893.43 7.240 211 2889.65 7.231 107 2887.82 7.226 123 2887.08 7.225 191 2655.88 6.646 157 2645.02 6.619 166 2638.31 6.602 177 2627.44 6.575 183 2275.27 5.694 337 2274.54 5.692 391 2257.69 5.650 317 2256.96 5.648 357 2091.67 5.234 272 2090.82 5.232 335 2080.69 5.207 265 2079.96 5.205 337
in CDCl3
liquid film
