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Back ChemicalBook Home>CAS DataBase List>7581-97-7More Spectrum> 2,3-DICHLOROBUTANE(7581-97-7) 1H NMR

2,3-DICHLOROBUTANE(7581-97-7) 1H NMR

Product Name2,3-DICHLOROBUTANE

CAS7581-97-7

Molecular FormulaC4H8Cl2

Molecular Weight127.01

InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3

InChIKey RMISVOPUIFJTEO-UHFFFAOYSA-N

SmilesCC(Cl)C(Cl)C


  • Mass

    MS-NW-4364          
    2,3-dichlorobutane
    C4H8Cl2             (Mass of molecular ion:    126)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       1.2
          26.0       5.4
          27.0      40.4
          28.0       3.5
          29.0      10.7
          36.0       1.9
          37.0       1.5
          38.0       2.5
          39.0      16.4
          40.0       1.4
          41.0       7.9
          43.0       1.2
          49.0       4.6
          50.0       4.0
          51.0       4.1
          52.0       1.2
          53.0       8.1
          54.0       2.6
          55.0      44.2
          56.0       4.3
          61.0       2.6
          62.0      98.7
          63.0     100.0
          64.0      33.7
          65.0      35.4
          75.0       9.2
          77.0       3.0
          83.0       1.1
          89.0       5.3
          90.0      29.3
          91.0       9.3
          92.0      10.0
          93.0       2.8
          96.0       1.3
          97.0       3.5
          99.0       2.3
         125.0       1.4
         126.0       1.8
         127.0       1.0
         128.0       1.1
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C4 H8 Cl2 0.05 ml : 0.5 ml CDCl3
    2,3-dichlorobutane
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.214 A 4.065 B 1.610 B 1.567 MIXTURE OF ROTATIONAL ISOMERS.

         Hz     ppm     Int.
    

       1692.87   4.236     54
       1689.58   4.228     56
       1688.84   4.226     51
       1687.62   4.223    110
       1686.28   4.220    100
       1682.25   4.210    103
       1680.91   4.206    108
       1679.69   4.203     49
       1678.96   4.202     52
       1675.66   4.193     52
       1634.52   4.090     46
       1632.57   4.085    147
       1629.88   4.079     89
       1628.05   4.074    216
       1626.22   4.070    217
       1623.54   4.063    216
       1621.70   4.058    212
       1619.87   4.054     83
       1617.19   4.047    144
        656.37   1.643     55
        652.34   1.633    187
        647.71   1.621   1000
        645.75   1.616    533
        642.94   1.609    559
        641.24   1.605    920
        636.35   1.593    140
        634.52   1.588     50
        631.23   1.580    154
        629.03   1.574    593
        628.05   1.572    297
        623.66   1.561    292
        622.56   1.558    580
        620.36   1.553    144
    

in CDCl3



liquid film



4880 A,200 M,liquid



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