2-氯苯乙烯(2039-87-4)紅外圖譜(IR1)

產(chǎn)品名稱:2-氯苯乙烯

CAS:2039-87-4

分子式:C8H7Cl

分子量: 138.59

InChI:InChI=1S/C8H7Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

InChIKey: ISRGONDNXBCDBM-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC=C1C=C

Mass

MS-NW-9257          
o-chlorostyrene
C8H7Cl              (Mass of molecular ion:    138)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       1.2
      38.0       1.5
      39.0       2.4
      49.0       1.1
      50.0       8.9
      51.0      19.5
      52.0       2.2
      61.0       1.1
      62.0       2.0
      63.0       4.1
      68.0       1.1
      69.0       3.4
      70.0       1.0
      73.0       1.7
      74.0       5.6
      75.0      10.9
      76.0       6.8
      77.0      24.3
      78.0       2.6
      98.0       1.1
     101.0       9.8
     102.0      17.3
     103.0      93.0
     104.0       8.2
     111.0       1.0
     112.0       3.1
     114.0       1.0
     136.0       1.1
     137.0       3.8
     138.0     100.0
     139.0      11.0
     140.0      33.1
     141.0       5.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl	0.05 ml : 0.5 ml CDCl₃
o-chlorostyrene

    Assign.     Shift(ppm)

      A             7.524
      B             7.320
      C             7.18
      D             7.15
      E             7.098
      F             5.709
      G             5.350

     Hz     ppm     Int.

   3012.70   7.539    633
   3010.86   7.534    715
   3005.00   7.520    678
   3003.17   7.515    769
   2930.18   7.332    690
   2928.71   7.329    717
   2928.10   7.327    597
   2922.36   7.313    930
   2920.90   7.309    965
   2880.98   7.209    262
   2880.37   7.208    269
   2879.52   7.206    334
   2878.91   7.204    295
   2876.83   7.199    107
   2873.66   7.191    701
   2873.05   7.189    709
   2872.19   7.187    717
   2866.21   7.172    647
   2865.72   7.171    612
   2864.50   7.168    630
   2863.89   7.166    640
   2862.92   7.164    778
   2860.84   7.159    779
   2855.22   7.145    701
   2853.39   7.140    780
   2851.20   7.135    670
   2847.78   7.126    304
   2845.95   7.122    278
   2840.09   7.107    598
   2833.62   7.091    601
   2822.63   7.063    611
   2290.89   5.733    947
   2289.79   5.730   1000
   2273.32   5.689    895
   2272.34   5.686    932
   2144.29   5.366    956
   2143.31   5.363   1000
   2133.30   5.338    946
   2132.20   5.336    988

in CDCl3