96-23-1

1,3-二氯丙醇(96-23-1)核磁图(¹HNMR)

产品名称:1,3-二氯丙醇

CAS:96-23-1

分子式:C3H6Cl2O

分子量: 128.99

InChI:InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

InChIKey: DEWLEGDTCGBNGU-UHFFFAOYSA-N

Smiles:C(Cl)C(O)CCl

Mass

MS-NW-4341          
1,3-dichloro-2-propanol
C3H6Cl2O            (Mass of molecular ion:    128)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       7.2
      26.0       1.4
      27.0       4.7
      29.0       4.3
      31.0       3.8
      36.0       1.4
      37.0       1.0
      38.0       1.3
      39.0       3.2
      41.0       1.0
      42.0       2.9
      43.0      37.5
      44.0       2.4
      48.0       1.1
      49.0       8.3
      50.0       1.2
      51.0       2.9
      57.0       1.2
      61.0       1.2
      62.0       2.8
      64.0       1.2
      75.0       1.7
      78.0       2.0
      79.0     100.0
      80.0       2.9
      81.0      33.9

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₃ H₆ Cl₂ O	0.04 ml : 0.5 ml CDCl₃
1,3-dichloro-2-propanol

    Parameter     ppm  Hz

      D(A)         4.072
      D(B)         3.697
       J(A,B)          5.24
     
      D(C)         2.61

     Hz     ppm     Int.

   1232.31   4.108     27
   1226.98   4.090     99
   1221.78   4.073    154
   1216.51   4.055    118
   1211.40   4.038     39
   1111.66   3.706   1000
   1106.44   3.688    897
    783.00   2.610     29

¹H NMR	89.56 MHz
C₃ H₆ Cl₂ O	0.04 ml : 0.5 ml CDCl₃
1,3-dichloro-2-propanol

    Assign.     Shift(ppm)

      A             4.072
      B             3.697
      C             2.6
     
     J(A,B)=5.2HZ.
     CONFIRMED BY LAOCN PROGRAM.

     Hz     ppm     Int.

    371.63   4.150     23
    370.38   4.136     70
    367.19   4.100     28
    365.50   4.082     99
    364.75   4.073     78
    361.75   4.040     34
    359.88   4.019    120
    355.13   3.966     70
    333.44   3.724   1000
    328.50   3.668    638
    233.38   2.606     47

in CDCl3