105-75-9

Dibutyl fumarate(105-75-9) ¹H NMR

Product NameDibutyl fumarate

CAS 105-75-9

Molecular FormulaC12H20O4

Molecular Weight228.28

InChIInChI=1S/C12H20O4/c1-3-5-9-15-11(13)7-8-12(14)16-10-6-4-2/h7-8H,3-6,9-10H2,1-2H3/b8-7+

InChIKey JBSLOWBPDRZSMB-BQYQJAHWSA-N

SmilesC(OCCCC)(=O)/C=C/C(OCCCC)=O

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Dibutyl fumarate(105-75-9) <sup>1</sup>H NMR
Mass

MS-NW-3971          
dibutyl fumarate
C12H20O4            (Mass of molecular ion:    228)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       6.2
      27.0      19.2
      28.0       4.8
      29.0      30.2
      31.0       1.8
      32.0       1.0
      39.0       7.1
      40.0       1.5
      41.0      37.6
      42.0       2.3
      43.0       4.7
      45.0       1.9
      53.0       5.3
      54.0      12.7
      55.0      16.4
      56.0      91.5
      57.0      51.8
      58.0       2.5
      71.0       5.7
      72.0       2.2
      73.0       1.7
      81.0       7.4
      82.0      11.0
      89.0       2.5
      97.0       2.4
      98.0       1.8
      99.0      45.6
     100.0      16.9
     101.0       1.5
     109.0       2.6
     117.0      82.6
     118.0       4.3
     119.0       1.0
     126.0       1.7
     127.0       9.1
     128.0       1.7
     145.0       1.1
     154.0       3.3
     155.0     100.0
     156.0      10.4
     157.0       1.6
     173.0      34.7
     174.0       3.5