621-71-6

TRICAPRIN(621-71-6) IR3

Molecular FormulaC33H62O6

Molecular Weight554.84

InChIInChI=1S/C33H62O6/c1-4-7-10-13-16-19-22-25-31(34)37-28-30(39-33(36)27-24-21-18-15-12-9-6-3)29-38-32(35)26-23-20-17-14-11-8-5-2/h30H,4-29H2,1-3H3

InChIKey LADGBHLMCUINGV-UHFFFAOYSA-N

SmilesC(OC(=O)CCCCCCCCC)C(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC

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TRICAPRIN(621-71-6) IR3
Mass

MS-NW-0516          
tricaprin
C33H62O6            (Mass of molecular ion:    554)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.8
      27.0       6.2
      28.0       2.4
      29.0      11.4
      30.0       2.9
      39.0       3.5
      41.0      20.4
      42.0       5.3
      43.0      39.9
      44.0       1.4
      45.0       1.3
      53.0       1.0
      54.0       2.2
      55.0      17.2
      56.0       6.2
      57.0      34.2
      58.0       1.8
      60.0      13.7
      61.0       3.3
      67.0       4.0
      68.0       2.7
      69.0      13.0
      70.0       4.7
      71.0      34.4
      72.0       2.1
      73.0      12.1
      74.0       2.6
      79.0       1.0
      81.0       6.0
      82.0       2.6
      83.0       7.2
      84.0      10.4
      85.0      16.7
      86.0       1.3
      87.0       3.0
      95.0       5.7
      96.0       1.4
      97.0       4.7
      98.0      12.7
      99.0       2.3
     100.0       2.0
     101.0       1.6
     109.0       1.1
     110.0       2.0
     111.0       2.8
     112.0       6.1
     113.0       2.1
     115.0       2.1
     116.0       2.4
     117.0       1.4
     125.0       1.2
     126.0       2.2
     127.0       1.9
     129.0       7.5
     135.0       1.2
     137.0       1.4
     140.0       1.8
     143.0       2.0
     153.0       1.6
     154.0       5.4
     155.0     100.0
     156.0      11.1
     157.0       1.1
     158.0       6.1
     171.0       5.6
     172.0       3.4
     173.0       3.8
     185.0       1.9
     186.0       1.0
     196.0       1.8
     201.0       1.5
     210.0       1.0
     213.0       1.5
     215.0       2.2
     227.0       9.5
     228.0       5.1
     229.0      22.6
     230.0       3.3
     247.0       1.6
     257.0       1.4
     270.0      15.4
     271.0       7.9
     272.0       1.2
     283.0      16.3
     284.0       3.2
     289.0       1.1
     297.0       1.9
     308.0       1.0
     325.0       2.2
     326.0       1.0
     339.0       6.8
     340.0       2.8
     353.0       1.7
     354.0       1.6
     355.0       1.0
     369.0      11.3
     370.0       2.8
     381.0       2.0
     382.0      19.8
     383.0      46.2
     384.0      11.7
     385.0       1.8
     401.0       2.5
     424.0       1.4
     442.0       1.9