111-01-3

Squalane(111-01-3) ¹³C NMR

Product NameSqualane

Molecular FormulaC30H62

Molecular Weight422.81

InChIInChI=1S/C30H62/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h25-30H,9-24H2,1-8H3

InChIKey PRAKJMSDJKAYCZ-UHFFFAOYSA-N

SmilesCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C

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Squalane(111-01-3) <sup>13</sup>C NMR
Mass

MS-NW-2144          
2,6,10,15,19,23-hexamethyltetracosane
C30H62              (Mass of molecular ion:    422)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       1.8
      27.0       1.4
      28.0       1.1
      29.0       5.6
      39.0       1.1
      41.0      14.0
      42.0       3.3
      43.0      42.4
      44.0       1.5
      55.0      17.8
      56.0      17.4
      57.0     100.0
      58.0       4.4
      67.0       1.5
      68.0       1.7
      69.0      14.6
      70.0      11.2
      71.0      78.3
      72.0       4.2
      81.0       1.6
      82.0       1.9
      83.0       8.9
      84.0       6.9
      85.0      44.0
      86.0       3.0
      95.0       1.7
      96.0       3.3
      97.0       9.8
      98.0       3.7
      99.0      25.6
     100.0       1.9
     109.0       1.0
     110.0       2.8
     111.0       9.8
     112.0      20.7
     113.0      34.7
     114.0       2.9
     125.0       4.2
     126.0      10.0
     127.0      21.0
     128.0       2.1
     139.0       1.5
     140.0       2.8
     141.0      14.0
     142.0       1.5
     153.0       1.2
     154.0       3.5
     155.0      12.7
     156.0       1.5
     169.0       9.3
     170.0       1.2
     181.0       2.1
     182.0      13.1
     183.0      24.9
     184.0       3.2
     196.0       3.2
     197.0       7.1
     211.0       5.4
     225.0       3.8
     238.0       8.5
     239.0      16.9
     240.0       3.1
     253.0       2.2
     266.0       6.5
     267.0       8.3
     268.0       1.5
     281.0       1.3
     308.0       1.7
     309.0       1.7
     336.0       2.9
     337.0       4.4
     338.0       1.1

400 MHz in CDCl3

Squalane(111-01-3) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₃₀ H₆₂	0.05 ml 0.5 ml CDCl₃
2,6,10,15,19,23-hexamethyltetracosane

    Assign.     Shift(ppm)

      A             1.519
      B             1.37
      C             1.26
      D             1.15
      E             1.08
      F             0.868
      G             0.845

     Hz     ppm     Int.

    622.80   1.559     44
    616.21   1.542     86
    609.62   1.526    110
    603.03   1.509     94
    596.31   1.493     60
    546.63   1.368     91
    501.46   1.255    363
    458.25   1.147    132
    431.27   1.080    165
    350.22   0.877    994
    343.51   0.860   1000
    340.82   0.853    802
    334.23   0.837    730

in CDCl3