4-Chlorophenethylalcohol(1875-88-3) ¹³C NMR

Product Name4-Chlorophenethylalcohol

CAS 1875-88-3

Molecular FormulaC8H9ClO

Molecular Weight156.61

InChIInChI=1S/C8H9ClO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2

InChIKey HZFRKZWBVUJYDA-UHFFFAOYSA-N

SmilesC1(CCO)=CC=C(Cl)C=C1

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Mass

MS2014-05010CW      
p-chlorophenethyl alcohol
C8H9ClO             (Mass of molecular ion:    156)

   Source Temperature: 250 °C
   Sample Temperature: 200 °C
   Reservoir, 70 eV

      28.0      15.0
      31.0       1.7
      32.0       3.7
      39.0       2.4
      50.0       1.8
      51.0       2.6
      62.0       1.6
      63.0       5.5
      64.0       1.1
      65.0       2.7
      73.0       1.7
      74.0       1.1
      75.0       2.3
      77.0       2.8
      89.0      14.9
      90.0       4.9
      91.0      28.6
      92.0       2.3
      99.0       5.1
     101.0       2.1
     102.0       1.4
     103.0       2.0
     112.0       1.1
     125.0     100.0
     126.0      25.8
     127.0      33.0
     128.0       8.2
     138.0       1.7
     156.0      30.7
     157.0       2.8
     158.0       9.9

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ Cl O	0.05 ml : 0.5 ml CDCl₃
p-chlorophenethyl alcohol

    Assign.     Shift(ppm)

      A     *1      7.24
      B     *1      7.13
      C             3.76
      D             2.775
      E             2.3

     Hz     ppm     Int.

    656.25   7.328     56
    654.63   7.310    247
    653.94   7.302    164
    652.19   7.283    128
    648.38   7.240    242
    646.00   7.214   1000
    644.25   7.194    301
    641.88   7.168    287
    640.50   7.152    811
    637.81   7.122    186
    634.00   7.080    119
    631.56   7.052    201
    627.13   7.003     25
    348.63   3.893     27
    254.56   2.843    338
    248.00   2.770    562
    244.00   2.725     47
    241.44   2.696    239
    205.63   2.297    103