1777-82-8

2,4-二氯苄醇(1777-82-8)质谱(MS)

产品名称:2,4-二氯苄醇

CAS:1777-82-8

分子式:C7H6Cl2O

分子量: 177.03

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

InChIKey: DBHODFSFBXJZNY-UHFFFAOYSA-N

Smiles:C1(CO)=CC=C(Cl)C=C1Cl

Mass

MS-NW-6530          
2,4-dichlorobenzyl alcohol
C7H6Cl2O            (Mass of molecular ion:    176)

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

      18.0       1.7
      27.0       2.0
      28.0       4.2
      29.0       7.3
      31.0       6.9
      36.0       3.5
      37.0       4.1
      38.0       6.1
      39.0       3.9
      43.0       2.6
      44.0       1.7
      49.0       2.7
      50.0      13.2
      51.0      16.3
      52.0      12.8
      52.5       1.2
      53.0       1.2
      55.0       1.6
      56.0       2.9
      57.0       1.0
      60.0       1.4
      61.0       4.6
      61.5       1.0
      62.0       5.3
      63.0       5.9
      70.0       3.1
      70.5       1.2
      71.0       1.1
      72.0       1.4
      73.0       6.9
      74.0      13.2
      75.0      28.7
      76.0       5.3
      77.0      87.8
      78.0       8.8
      84.0       3.4
      85.0       5.3
      86.0       2.7
      87.0       2.9
      87.5       2.2
      88.0       1.0
      88.5       1.3
      89.0       4.6
      97.0       1.7
      99.0       1.7
     105.0       2.3
     109.0       6.0
     110.0       3.3
     111.0      54.8
     112.0       9.8
     113.0      51.5
     114.0       5.5
     115.0      12.1
     123.0       8.3
     124.0       2.6
     125.0       3.4
     133.0       1.2
     139.0      19.1
     140.0      14.7
     141.0     100.0
     142.0      12.4
     143.0      30.1
     144.0       2.7
     145.0       5.0
     146.0       2.8
     147.0      16.3
     148.0       2.6
     149.0       9.3
     150.0       1.0
     151.0       1.5
     159.0      16.8
     160.0       2.0
     161.0      11.0
     162.0       1.2
     163.0       1.9
     173.0       5.3
     174.0       1.7
     175.0      21.1
     176.0      60.6
     177.0      16.4
     178.0      39.8
     179.0       5.0
     180.0       6.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂ O	0.042 g : 0.5 ml CDCl₃
2,4-dichlorobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.38
      B             7.36
      C             7.25
      D             4.709
      E             2.31
     
     J(A,C)=8.1HZ. J(B,C)=2.1HZ.

     Hz     ppm     Int.

    668.06   7.460    114
    667.63   7.455    119
    659.38   7.363    590
    657.69   7.344    469
    654.38   7.307     52
    652.44   7.285    357
    650.31   7.262    237
    647.94   7.235     37
    647.50   7.230     32
    647.06   7.225     32
    644.38   7.195    108
    642.31   7.172     95
    421.75   4.710   1000
    416.44   4.650     32
    206.50   2.306    507

in CDCl3