693-55-0

ETHYL HYDROGEN SEBACATE(693-55-0) MS

Product NameETHYL HYDROGEN SEBACATE

CAS 693-55-0

Molecular FormulaC12H22O4

Molecular Weight230.3

InChIInChI=1S/C12H22O4/c1-2-16-12(15)10-8-6-4-3-5-7-9-11(13)14/h2-10H2,1H3,(H,13,14)

InChIKey DLZCDMPHHUODDO-UHFFFAOYSA-N

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

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IR1

IR2

ETHYL HYDROGEN SEBACATE(693-55-0) MS
Mass

MS2003-02106WA      
ethyl hydrogen sebacate
C12H22O4            (Mass of molecular ion:    230)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV
   comment:  Pattern varies. Pattern of last period is recorded.

      18.0       1.9
      27.0       9.4
      28.0       3.2
      29.0      12.8
      31.0       2.1
      39.0       9.4
      40.0       1.9
      41.0      34.1
      42.0       5.9
      43.0      12.5
      45.0       9.5
      53.0       4.1
      54.0       4.0
      55.0      56.9
      56.0       6.0
      57.0       3.8
      58.0       1.0
      59.0       6.0
      60.0      40.7
      61.0       5.7
      67.0       8.9
      68.0       8.4
      69.0      27.0
      70.0       7.0
      71.0       3.5
      73.0      25.0
      74.0       3.7
      79.0       5.0
      80.0       7.0
      81.0      10.6
      82.0       4.9
      83.0      23.2
      84.0      48.9
      85.0       4.1
      86.0       1.0
      87.0       7.5
      88.0      19.9
      89.0       3.0
      91.0       1.3
      93.0       2.9
      94.0       4.1
      95.0       6.4
      96.0       6.7
      97.0      26.5
      98.0     100.0
      99.0       7.6
     100.0       2.0
     101.0       9.7
     102.0       1.3
     106.0       1.2
     107.0       6.5
     108.0       1.1
     109.0       3.1
     110.0       7.9
     111.0       9.0
     112.0      13.1
     113.0       2.2
     114.0       1.7
     115.0       3.0
     119.0       1.4
     120.0       2.3
     121.0       5.2
     122.0       2.0
     123.0       2.5
     124.0       4.9
     125.0      39.1
     126.0       4.4
     127.0       1.1
     128.0       1.1
     129.0       3.0
     130.0       1.0
     135.0       2.4
     137.0       3.1
     138.0      33.1
     139.0       6.8
     140.0       4.4
     143.0       6.1
     148.0       4.4
     149.0       1.0
     151.0       1.2
     152.0       1.3
     153.0       2.6
     158.0       1.0
     166.0      28.0
     167.0       3.4
     171.0       2.7
     185.0      15.2
     186.0       2.0
     194.0       1.7
     199.0       1.0
     213.0       2.3

KBr disc