1,3-DICHLOROBUTANE(1190-22-3) ¹³C NMR

Product Name1,3-DICHLOROBUTANE

CAS 1190-22-3

Molecular FormulaC4H8Cl2

Molecular Weight127.01

InChIInChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3

InChIKey QBGVARBIQGHVKR-UHFFFAOYSA-N

SmilesC(Cl)CC(Cl)C

Request For Quotation

Mass

MS-NW-4374          
1,3-dichlorobutane
C4H8Cl2             (Mass of molecular ion:    126)

   Source Temperature: 220 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      26.0       3.1
      27.0      23.5
      28.0       2.9
      29.0      10.8
      36.0       1.2
      38.0       1.1
      39.0       9.3
      39.5       1.2
      41.0       9.5
      41.5       1.0
      42.0       2.0
      49.0       5.4
      50.0       1.3
      51.0       1.8
      53.0       4.5
      54.0      10.9
      55.0     100.0
      56.0       4.9
      61.0       1.0
      62.0       7.4
      63.0      21.0
      64.0       2.7
      65.0       6.1
      75.0       8.9
      77.0       4.0
      90.0      29.6
      91.0       5.5
      92.0       9.7
      93.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ Cl₂	0.02 ml : 0.5 ml CDCl₃
1,3-dichlorobutane

    Assign.     Shift(ppm)

      A             4.25
      B             3.696
      C             2.123
      D             1.561

     Hz     ppm     Int.

    384.81   4.297     93
    378.06   4.222     96
    338.81   3.784    100
    337.13   3.765     96
    331.38   3.701    324
    330.75   3.694    138
    325.38   3.634    247
    325.06   3.630    234
    199.38   2.227    119
    193.31   2.159    200
    192.56   2.151    167
    187.25   2.091    143
    186.25   2.080    201
    180.31   2.014     87
    179.94   2.010     81
    143.13   1.599   1000
    136.50   1.525    940

in CDCl3