54127-30-9

5,6-二氯-3-吡啶甲醇(54127-30-9)质谱(MS)

产品名称:5,6-二氯-3-吡啶甲醇

CAS:54127-30-9

分子式:C6H5Cl2NO

分子量: 178.02

InChI:InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2

InChIKey: ZOFUUOULXZPZHP-UHFFFAOYSA-N

Smiles:C1=NC(Cl)=C(Cl)C=C1CO

Mass

MS-IW-8669          
(5,6-dichloro-3-pyridyl)methanol
C6H5Cl2NO           (Mass of molecular ion:    177)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.3
      26.0       1.5
      27.0       3.1
      28.0       7.4
      29.0       7.8
      31.0      12.9
      32.0       1.2
      36.0       2.9
      37.0       3.1
      38.0       3.8
      39.0       4.1
      41.0       1.1
      43.0       1.0
      47.0       1.5
      48.0       1.9
      49.0       5.2
      50.0      12.1
      51.0      17.2
      52.0       4.5
      53.0       2.5
      55.0       3.4
      56.5       1.0
      57.0       1.3
      60.0       2.5
      61.0       4.1
      62.0       5.7
      63.0       4.5
      64.0       1.8
      69.0       1.2
      70.5       2.5
      72.0       2.4
      73.0       5.4
      74.0       2.1
      75.0       6.9
      76.0      22.1
      77.0       3.0
      78.0      23.3
      79.0       3.2
      83.0       1.2
      84.0       5.8
      85.0      11.7
      86.0       5.1
      87.0      10.2
      88.0       3.7
      89.0       3.5
      90.0       1.2
      91.0       1.8
      92.0       1.1
      96.0       1.1
      97.0       4.6
      98.0       1.4
      99.0       2.7
     105.0       1.4
     106.0      15.1
     107.0       3.1
     109.0       2.1
     110.0       7.1
     111.0       2.5
     112.0      77.7
     113.0      12.8
     114.0      35.3
     115.0      11.4
     116.0       4.2
     117.0       2.4
     119.0       1.5
     121.0       2.3
     123.0       1.2
     124.0      12.9
     125.0       4.3
     126.0       4.8
     127.0       1.4
     133.0       3.2
     134.0       1.0
     135.0       2.6
     140.0       6.4
     141.0       3.4
     142.0      37.6
     143.0       3.7
     144.0      11.7
     146.0       6.0
     147.0       5.0
     148.0     100.0
     149.0       9.4
     150.0      62.6
     151.0       4.5
     152.0      10.1
     159.0       6.4
     160.0       9.5
     161.0       5.4
     162.0       6.2
     163.0       1.4
     164.0       1.2
     174.0       4.9
     175.0       2.5
     176.0      56.7
     177.0      87.2
     178.0      42.0
     179.0      55.7
     180.0      10.2
     181.0       9.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₅ Cl₂ N O	0.039 g : 0.5 ml CDCl₃
(5,6-dichloro-3-pyridyl)methanol

    Assign.     Shift(ppm)

      A             8.218
      B             7.835
      C             4.728
      D             3.38

     Hz     ppm     Int.

   3285.40   8.221    414
   3284.79   8.220    294
   3284.06   8.218    296
   3283.33   8.216    419
   3133.06   7.840    280
   3132.32   7.838    486
   3131.59   7.836    308
   3130.98   7.835    305
   3130.25   7.833    462
   3129.52   7.831    254
   1889.65   4.729   1000
   1351.56   3.382     44

in CDCl3