506-48-9

OCTACOSANOIC ACID(506-48-9) IR2

Molecular FormulaC28H56O2

Molecular Weight424.74

InChIInChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)

InChIKey UTOPWMOLSKOLTQ-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC

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OCTACOSANOIC ACID(506-48-9) IR2
Mass

MS-NW-6944          
octacosanoic acid
C28H56O2            (Mass of molecular ion:    424)

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

      27.0       4.7
      28.0       1.4
      29.0      15.1
      39.0       4.0
      41.0      38.8
      42.0       8.7
      43.0      77.6
      44.0       2.5
      45.0       2.1
      53.0       2.2
      54.0       4.6
      55.0      53.5
      56.0      17.0
      57.0      76.5
      58.0       3.8
      59.0       1.9
      60.0      36.4
      61.0      18.1
      67.0       7.3
      68.0       6.9
      69.0      37.5
      70.0      12.5
      71.0      43.7
      72.0       2.3
      73.0      47.9
      74.0       4.5
      79.0       1.6
      80.0       1.0
      81.0       6.9
      82.0       7.9
      83.0      33.4
      84.0      10.1
      85.0      27.4
      86.0       2.0
      87.0      10.8
      88.0       1.1
      93.0       1.2
      95.0       5.2
      96.0       7.5
      97.0      27.8
      98.0      14.3
      99.0       9.2
     101.0       5.1
     102.0       2.3
     107.0       1.1
     109.0       3.3
     110.0       3.4
     111.0      14.9
     112.0       5.4
     113.0       6.0
     115.0       8.5
     116.0       7.3
     121.0       1.8
     123.0       2.1
     124.0       2.2
     125.0       9.0
     126.0       2.8
     127.0       4.6
     129.0      32.9
     130.0       3.5
     135.0       2.0
     137.0       1.2
     138.0       1.7
     139.0       5.5
     140.0       2.0
     141.0       3.3
     143.0       4.0
     149.0       1.4
     152.0       1.4
     153.0       3.9
     154.0       1.9
     155.0       2.8
     157.0       2.3
     158.0       1.3
     163.0       1.0
     167.0       2.7
     168.0       1.4
     169.0       2.0
     171.0       6.0
     172.0       2.3
     181.0       1.9
     182.0       1.2
     183.0       1.9
     185.0      11.2
     186.0       1.8
     195.0       1.5
     196.0       1.1
     197.0       1.3
     199.0       1.7
     209.0       1.2
     210.0       1.2
     211.0       1.1
     213.0       2.1
     223.0       1.1
     224.0       1.1
     225.0       1.1
     227.0       3.2
     228.0       1.0
     238.0       1.2
     241.0       3.3
     255.0       1.3
     266.0       1.0
     269.0       3.0
     270.0       1.1
     283.0       2.6
     297.0       1.5
     311.0       1.3
     325.0       7.4
     326.0       1.8
     339.0       3.5
     362.0       1.6
     364.0       1.4
     367.0       1.8
     381.0      12.5
     382.0       3.6
     388.0       1.0
     395.0       1.9
     406.0       1.5
     424.0     100.0
     425.0      30.7
     426.0       5.5