1,4-二氯-2-丁醇(2419-74-1)核磁圖(¹HNMR)

產(chǎn)品名稱:1,4-二氯-2-丁醇

CAS:2419-74-1

分子式:C4H8Cl2O

分子量: 143.01

InChI:InChI=1S/C4H8Cl2O/c5-2-1-4(7)3-6/h4,7H,1-3H2

InChIKey: CKNNDWZSFAPUJS-UHFFFAOYSA-N

Smiles:C(Cl)C(O)CCCl

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-4923          
1,4-dichloro-2-butanol
C4H8Cl2O            (Mass of molecular ion:    142)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.0
      26.0       1.9
      27.0      10.6
      28.0       6.9
      29.0      41.5
      30.0       1.1
      31.0       9.0
      36.0       1.7
      39.0       3.3
      41.0       4.2
      42.0       2.8
      43.0      20.4
      44.0       1.9
      49.0       6.5
      50.0       3.4
      51.0       2.5
      52.0       1.0
      53.0       2.5
      55.0       1.6
      57.0      14.6
      58.0       1.0
      62.0       1.1
      63.0       3.3
      65.0       2.9
      71.0       2.5
      75.0       2.1
      76.0       2.9
      77.0       7.7
      78.0       5.1
      79.0      36.1
      80.0       2.1
      81.0      10.9
      89.0       1.2
      93.0     100.0
      94.0       3.9
      95.0      36.3
      96.0       1.2
     106.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₈ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
1,4-dichloro-2-butanol

    Assign.     Shift(ppm)

      A             4.096
      B     *1      3.74
      C     *1      3.70
      D     *2      3.661
      E     *2      3.544
      F             2.97
      G     *3      1.99
      J     *3      1.96
     
     ASSIGNED BY C-H COSY.
     J(A,D)=3.8HZ
     J(A,E)=6.6HZ
     J(D,E)=-11.2HZ

     Hz     ppm     Int.

   1648.68   4.126     81
   1644.90   4.116    139
   1642.09   4.109    114
   1640.26   4.105    152
   1638.31   4.100    166
   1636.35   4.095    168
   1633.67   4.088    163
   1632.32   4.085    118
   1629.76   4.078    159
   1625.73   4.068     94
   1508.79   3.776    113
   1503.17   3.762    116
   1500.37   3.755     95
   1499.88   3.753     96
   1497.80   3.748    282
   1494.51   3.740    115
   1492.07   3.734    319
   1489.62   3.728    231
   1489.01   3.726    230
   1486.21   3.719    275
   1483.64   3.713    314
   1480.96   3.706    332
   1480.22   3.704    358
   1475.10   3.691    368
   1472.05   3.684    370
   1469.85   3.678    166
   1468.38   3.675    373
   1464.11   3.664    104
   1460.82   3.656    531
   1457.03   3.646    505
   1424.44   3.565    515
   1417.85   3.548    486
   1413.21   3.537    349
   1406.62   3.520    336
   1186.16   2.968   1000
    818.48   2.048     33
    813.23   2.035     63
    807.86   2.022     49
    804.08   2.012    187
    798.95   2.000    280
    797.61   1.996    237
    795.78   1.992    214
    793.33   1.986    327
    791.50   1.981    249
    790.53   1.979    287
    788.94   1.975    230
    787.35   1.971    232
    784.79   1.964    335
    782.96   1.960    212
    778.81   1.949    196
    777.10   1.945     72
    774.29   1.938     56
    772.83   1.934     39
    770.26   1.928     39
    768.31   1.923     54
    764.28   1.913     38

in CDCl3