105-76-0

n-Butyl fumarate(105-76-0) IR1

Product Namen-Butyl fumarate

CAS 105-76-0

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-FPLPWBNLSA-N

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

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n-Butyl fumarate(105-76-0) IR1
Mass

MS-NW-0095          
dibutyl maleate
C12H20O4            (Mass of molecular ion:    228)

   Source Temperature: 240 °C
   Sample Temperature:  95 °C
   Reservoir, 75 eV

      17.0       1.0
      18.0       4.6
      26.0       3.6
      27.0      11.0
      28.0      13.7
      29.0      23.0
      31.0       1.2
      32.0       5.3
      39.0       4.9
      41.0      28.9
      42.0       1.8
      43.0       3.2
      45.0       1.5
      53.0       2.1
      54.0       8.2
      55.0       7.6
      56.0      31.9
      57.0      68.2
      58.0       2.9
      69.0       2.0
      71.0       2.7
      72.0       1.9
      73.0       1.1
      75.0       2.8
      81.0       2.3
      82.0       6.7
      89.0       1.3
      91.0       3.5
      99.0     100.0
     100.0      20.6
     101.0       2.4
     117.0      53.7
     118.0       2.8
     126.0       1.5
     127.0       3.7
     154.0       4.7
     155.0      32.8
     156.0       4.9
     157.0       1.1
     171.0       1.2
     173.0      17.7
     174.0       1.9