112-40-3

Dodecane(112-40-3) IR2

Product NameDodecane

CAS 112-40-3

Molecular FormulaC12H26

Molecular Weight170.33

InChIInChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3

InChIKey SNRUBQQJIBEYMU-UHFFFAOYSA-N

SmilesCCCCCCCCCCCC

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Dodecane(112-40-3) IR2
Mass

MS-NW-2010          
dodecane
C12H26              (Mass of molecular ion:    170)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      27.0       7.6
      28.0       2.2
      29.0      16.0
      39.0       4.1
      41.0      23.4
      42.0       8.6
      43.0      77.9
      44.0       2.6
      55.0      10.2
      56.0      13.5
      57.0     100.0
      58.0       4.7
      69.0       4.6
      70.0      11.0
      71.0      51.5
      72.0       3.0
      83.0       2.1
      84.0       7.3
      85.0      30.4
      86.0       2.0
      97.0       1.0
      98.0       5.6
      99.0       6.6
     112.0       3.3
     113.0       5.8
     126.0       1.6
     127.0       4.2
     141.0       2.2
     170.0       6.0

90 MHz in CDCl3

Dodecane(112-40-3) IR2

¹H NMR	89.56 MHz
C₁₂ H₂₆	0.04 ml : 0.5 ml CDCl₃
dodecane

    Assign.     Shift(ppm)

      A             1.27
      B             0.88

     Hz     ppm     Int.

    113.00   1.262   1000
     84.06   0.939     41
     82.25   0.919     33
     81.81   0.914     32
     81.44   0.910     32
     78.88   0.881    135
     72.81   0.813     29

in CDCl3