15258-73-8

2,6-二氯苄醇(15258-73-8)质谱(MS)

产品名称:2,6-二氯苄醇

CAS:15258-73-8

分子式:C7H6Cl2O

分子量: 177.03

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

InChIKey: WKKHCCZLKYKUDN-UHFFFAOYSA-N

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

Mass

MS-NW-6360          
2,6-dichlorobenzyl alcohol
C7H6Cl2O            (Mass of molecular ion:    176)

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

      18.0       1.4
      26.0       1.1
      27.0       2.2
      28.0       4.6
      29.0       7.1
      30.0       1.1
      31.0       7.0
      36.0       5.5
      37.0       4.1
      38.0       6.0
      39.0       5.6
      43.0       2.8
      44.0       2.0
      49.0       3.0
      50.0      13.9
      51.0      19.1
      52.0      11.6
      52.5       1.1
      53.0       1.0
      55.0       1.4
      56.0       2.1
      60.0       1.2
      61.0       4.7
      61.5       1.3
      62.0       6.1
      63.0       7.0
      65.0       1.2
      70.0       2.2
      70.5       1.1
      72.0       1.3
      73.0       6.7
      74.0      12.6
      75.0      34.4
      76.0       7.8
      77.0     100.0
      78.0       9.3
      84.0       4.2
      85.0       4.8
      86.0       2.9
      87.0       2.7
      87.5       2.6
      88.5       1.5
      89.0       5.8
      91.0       9.8
      92.0       7.9
      97.0       1.6
      99.0       1.7
     105.0       2.4
     109.0       5.2
     110.0       3.2
     111.0      36.9
     112.0       7.2
     113.0      55.2
     114.0       5.0
     115.0      14.9
     116.0       1.2
     123.0       8.4
     124.0       2.6
     125.0       3.5
     126.0       1.1
     133.0       1.1
     139.0      32.4
     140.0      21.2
     141.0      81.8
     142.0      12.6
     143.0      24.1
     144.0       2.0
     145.0       3.0
     146.0       3.3
     147.0       5.1
     148.0       2.5
     149.0       2.4
     158.0       1.1
     159.0      11.7
     160.0       1.9
     161.0       7.6
     162.0       1.0
     163.0       1.3
     173.0       3.3
     175.0      14.6
     176.0      44.8
     177.0      11.6
     178.0      28.9
     179.0       3.9
     180.0       4.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂ O	0.040 g : 0.5 ml CDCl₃
2,6-dichlorobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.32
      B             7.178
      C             4.956
      D             2.13

     Hz     ppm     Int.

    662.25   7.395    150
    658.25   7.350    215
    652.38   7.285    676
    648.00   7.236    514
    642.81   7.178    209
    638.13   7.126     93
    632.94   7.068     65
    446.44   4.985     31
    443.88   4.957   1000
    190.38   2.126    156
    188.06   2.100     55

in CDCl3