1,4-Dichlorobutane(110-56-5) ¹³C NMR

Product Name1,4-Dichlorobutane

CAS 110-56-5

Molecular FormulaC4H8Cl2

Molecular Weight127.01

InChIInChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2

InChIKey KJDRSWPQXHESDQ-UHFFFAOYSA-N

SmilesC(Cl)CCCCl

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1,4-Dichlorobutane(110-56-5) <sup>13</sup>C NMR
Mass

MS-NW-0819          
1,4-dichlorobutane
C4H8Cl2             (Mass of molecular ion:    126)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       2.3
      27.0      14.0
      28.0       4.3
      29.0       5.1
      36.0       1.0
      39.0       9.5
      41.0      25.8
      42.0       1.5
      49.0       6.8
      50.0       1.2
      51.0       2.1
      53.0       4.7
      54.0      13.0
      55.0     100.0
      56.0       4.7
      61.0       1.3
      62.0      15.4
      63.0       6.4
      64.0       5.0
      65.0       1.9
      75.0       6.7
      77.0       2.6
      90.0      29.8
      91.0       3.3
      92.0      10.0

400 MHz in CDCl3

1,4-Dichlorobutane(110-56-5) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₄ H₈ Cl₂	0.05 ml : 0.5 ml CDCl₃
1,4-dichlorobutane

    Assign.     Shift(ppm)

      A             3.584
      B             1.944

     Hz     ppm     Int.

   1438.60   3.600    486
   1437.38   3.597    374
   1436.16   3.594    344
   1434.81   3.591    442
   1433.59   3.588    486
   1432.37   3.585    904
   1431.15   3.582    474
   1430.05   3.579    427
   1428.59   3.575    330
   1427.37   3.572    359
   1426.15   3.569    479
    783.33   1.961    451
    780.52   1.954    469
    778.32   1.948    376
    777.22   1.945   1000
    776.00   1.942    373
    773.68   1.936    458
    770.87   1.929    426

in CDCl3