4-Chlorostyrene(1073-67-2) ¹³C NMR

Product Name4-Chlorostyrene

CAS 1073-67-2

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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Mass

MS-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

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