5182-44-5

3-氯苯乙醇(5182-44-5)Raman光譜

產(chǎn)品名稱:3-氯苯乙醇

CAS:5182-44-5

分子式:C8H9ClO

分子量: 156.61

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

InChIKey: NDWAVJKRSASRPH-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=CC(Cl)=C1

Mass

MS-NW-6441          
m-chlorophenethyl alcohol
C8H9ClO             (Mass of molecular ion:    156)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.1
      27.0       1.5
      29.0       1.8
      31.0      16.7
      38.0       1.7
      39.0       6.8
      41.0       1.0
      43.0       1.3
      50.0       4.3
      51.0       6.1
      61.0       1.2
      62.0       2.8
      63.0       8.7
      64.0       2.1
      65.0       5.2
      73.0       2.6
      74.0       1.8
      75.0       3.9
      76.0       1.0
      77.0       4.8
      89.0      16.0
      90.0       7.2
      91.0     100.0
      92.0       7.9
      99.0       5.5
     101.0       2.6
     102.0       1.8
     103.0       3.8
     112.0       4.6
     114.0       1.5
     125.0      62.7
     126.0      46.3
     127.0      24.3
     128.0      15.4
     129.0       1.2
     137.0       1.0
     138.0       3.9
     139.0       1.0
     140.0       1.4
     156.0      41.1
     157.0       4.0
     158.0      13.9
     159.0       1.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₉ Cl O	0.05 ml : 0.5 ml CDCl₃
m-chlorophenethyl alcohol

    Assign.     Shift(ppm)

      A          7.21 to 7.19
      B             7.078
      C             3.768
      D             2.784
      E             2.34

     Hz     ppm     Int.

   2890.75   7.234    103
   2890.01   7.232    111
   2884.16   7.217    129
   2882.93   7.214    322
   2882.20   7.212    373
   2879.76   7.206    265
   2878.42   7.203    505
   2877.93   7.202    519
   2875.98   7.197   1000
   2874.15   7.192    622
   2872.80   7.189    352
   2868.41   7.178    146
   2866.33   7.173    136
   2833.74   7.091    188
   2832.03   7.087    271
   2829.10   7.079    101
   2827.15   7.075    151
   2826.42   7.073    126
   2825.20   7.070    202
   2824.71   7.068    174
   2823.97   7.067    132
   2823.49   7.065    146
   1515.26   3.792    124
   1509.03   3.776    250
   1505.00   3.766    258
   1498.66   3.750    141
   1119.26   2.801    419
   1112.67   2.785    768
   1105.96   2.768    399
    934.69   2.339    196

in CDCl3