3,5-Dichlorobenzyl alcohol(60211-57-6) ¹³C NMR

Product Name3,5-Dichlorobenzyl alcohol

CAS 60211-57-6

Molecular FormulaC7H6Cl2O

Molecular Weight177.03

InChIInChI=1S/C7H6Cl2O/c8-6-1-5(4-10)2-7(9)3-6/h1-3,10H,4H2

InChIKey VSNNLLQKDRCKCB-UHFFFAOYSA-N

SmilesC1(CO)=CC(Cl)=CC(Cl)=C1

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Mass

MS-NW-6539          
3,5-dichlorobenzyl alcohol
C7H6Cl2O            (Mass of molecular ion:    176)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       3.2
      27.0       2.1
      28.0       3.2
      29.0       9.4
      30.0       1.0
      31.0       9.4
      36.0       2.7
      37.0       4.0
      38.0       5.6
      39.0       3.9
      43.0       2.7
      44.0       1.5
      49.0       2.5
      50.0      12.8
      51.0      15.4
      52.0       9.9
      52.5       1.0
      53.0       1.3
      55.0       1.6
      56.0       2.6
      57.0       1.0
      60.0       1.6
      61.0       4.3
      62.0       5.2
      63.0       6.4
      70.0       2.3
      70.5       1.0
      71.0       1.0
      72.0       1.2
      73.0       6.8
      74.0      14.3
      75.0      26.7
      76.0       3.7
      77.0     100.0
      78.0       9.9
      84.0       3.4
      85.0       4.7
      86.0       2.8
      87.0       2.8
      87.5       2.4
      88.0       1.2
      88.5       1.5
      89.0       3.9
      97.0       1.8
      99.0       1.5
     105.0       1.4
     109.0       6.9
     110.0       3.4
     111.0      53.7
     112.0      10.3
     113.0      60.2
     114.0       6.2
     115.0      15.0
     116.0       1.1
     123.0       9.6
     124.0       2.4
     125.0       3.8
     133.0       1.2
     139.0      11.9
     140.0       6.6
     141.0      79.7
     142.0       8.0
     143.0      24.9
     144.0       2.2
     145.0       5.7
     146.0       3.3
     147.0      19.9
     148.0       3.3
     149.0      11.0
     150.0       1.2
     151.0       1.8
     159.0       9.4
     160.0       1.5
     161.0       6.3
     163.0       1.1
     173.0       4.7
     174.0       2.0
     175.0      12.6
     176.0      72.7
     177.0      12.0
     178.0      46.0
     179.0       4.7
     180.0       7.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl₂ O	0.039 g : 0.5 ml CDCl₃
3,5-dichlorobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.260
      B             7.214
      C             4.621
      D             4.62

     Hz     ppm     Int.

   2903.56   7.266    305
   2901.37   7.260    495
   2899.41   7.255    335
   2893.55   7.241     21
   2884.03   7.217   1000
   2883.18   7.215    772
   2882.08   7.212    850
   1846.80   4.622    715

in CDCl3