630-02-4

二十八烷(630-02-4)质谱(MS)

产品名称:二十八烷

CAS:630-02-4

分子式:C28H58

分子量: 394.76

InChI:InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3

InChIKey: ZYURHZPYMFLWSH-UHFFFAOYSA-N

Smiles:CCCCCCCCCCCCCCCCCCCCCCCCCCCC

Mass

MS-NW-0729          
octacosane
C28H58              (Mass of molecular ion:    394)

   Source Temperature: 170 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.3
      27.0       2.7
      28.0       2.9
      29.0      11.2
      39.0       1.7
      41.0      22.5
      42.0       5.8
      43.0      68.4
      44.0       2.3
      54.0       2.3
      55.0      23.6
      56.0      12.6
      57.0     100.0
      58.0       4.4
      67.0       2.5
      68.0       2.8
      69.0      15.2
      70.0      10.2
      71.0      67.7
      72.0       3.8
      81.0       1.3
      82.0       3.5
      83.0      12.5
      84.0       7.0
      85.0      46.7
      86.0       3.1
      96.0       2.1
      97.0      10.2
      98.0       5.7
      99.0      19.3
     100.0       1.5
     110.0       1.1
     111.0       5.7
     112.0       5.1
     113.0      14.0
     114.0       1.3
     125.0       3.3
     126.0       4.5
     127.0      11.4
     128.0       1.0
     139.0       1.7
     140.0       4.1
     141.0       9.2
     142.0       1.0
     153.0       1.1
     154.0       3.6
     155.0       7.9
     168.0       3.2
     169.0       6.8
     182.0       2.8
     183.0       6.1
     196.0       2.7
     197.0       5.8
     210.0       2.3
     211.0       5.1
     224.0       1.9
     225.0       4.4
     238.0       1.8
     239.0       4.1
     252.0       1.6
     253.0       3.8
     266.0       1.4
     267.0       3.4
     280.0       1.3
     281.0       3.1
     294.0       1.1
     295.0       2.9
     309.0       2.6
     323.0       2.3
     337.0       1.8
     351.0       1.1
     394.0       7.3
     395.0       2.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₈ H₅₈	0.048 g : 0.5 ml CDCl₃
octacosane

    Assign.     Shift(ppm)

      A             1.26
      B             0.882

     Hz     ppm     Int.

    112.63   1.258   1000
     78.81   0.880     38

in CDCl3

KBr disc

nujol mull

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