111-20-6

Sebacic acid(111-20-6) IR2

Product NameSebacic acid

CAS 111-20-6

Molecular FormulaC10H18O4

Molecular Weight202.25

InChIInChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

InChIKey CXMXRPHRNRROMY-UHFFFAOYSA-N

SmilesC(O)(=O)CCCCCCCCC(O)=O

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Sebacic acid(111-20-6) IR2
Mass

MS-NW-1750          
sebacic acid
C10H18O4            (Mass of molecular ion:    202)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.5
      26.0       1.0
      27.0      19.6
      28.0       6.0
      29.0      20.4
      31.0       4.1
      39.0      14.9
      40.0       2.7
      41.0      48.7
      42.0       8.4
      43.0      21.1
      45.0      13.9
      53.0       4.7
      54.0       4.9
      55.0      77.5
      56.0       7.8
      57.0       5.4
      58.0       1.3
      59.0       7.5
      60.0      50.3
      61.0       2.8
      67.0       9.5
      68.0      10.1
      69.0      26.3
      70.0       4.9
      71.0       3.3
      73.0      26.2
      74.0       3.3
      79.0       5.4
      80.0       8.4
      81.0      10.8
      82.0       5.6
      83.0      30.5
      84.0      51.1
      85.0       4.2
      86.0       1.0
      87.0       7.5
      93.0       2.0
      94.0       3.9
      95.0       5.6
      96.0       7.1
      97.0      27.5
      98.0     100.0
      99.0       7.9
     100.0       2.1
     101.0       5.5
     106.0       1.0
     107.0       6.9
     109.0       2.6
     110.0       7.0
     111.0       7.0
     112.0      10.1
     113.0       2.1
     114.0       1.5
     115.0       1.9
     120.0       2.0
     121.0       3.2
     122.0       1.6
     123.0       1.6
     124.0       4.1
     125.0      39.2
     126.0       3.8
     129.0       1.4
     137.0       2.3
     138.0      28.1
     139.0       3.3
     140.0       3.8
     143.0       6.6
     148.0       3.4
     166.0      21.6
     167.0       2.4
     185.0       2.0