Isobutyl methacrylate(97-86-9) MS

Product NameIsobutyl methacrylate

CAS 97-86-9

Molecular FormulaC8H14O2

Molecular Weight142.2

InChIInChI=1S/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3

InChIKey RUMACXVDVNRZJZ-UHFFFAOYSA-N

SmilesC(OCC(C)C)(=O)C(C)=C

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Mass

MS-NW-1313          
isobutyl methacrylate
C8H14O2             (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.2
      27.0       5.7
      28.0       1.6
      29.0      10.4
      31.0       1.0
      39.0      16.2
      40.0       3.8
      41.0      61.6
      42.0       3.7
      43.0       3.2
      55.0       3.1
      56.0      54.8
      57.0       9.8
      59.0       1.3
      69.0     100.0
      70.0       5.5
      73.0       1.8
      87.0      27.3
      88.0       1.1
      99.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
isobutyl methacrylate

    Assign.     Shift(ppm)

      A             6.110
      B             5.543
      C             3.932
      D             1.953
      E             1.95
      F             0.968
     
     J(A,B)=1.6HZ
     J(A,D)=-1.0HZ
     J(B,D)=-1.6HZ

     Hz     ppm     Int.

    549.63   6.138     36
    548.63   6.126    105
    547.63   6.115    122
    546.88   6.107    130
    545.88   6.096    113
    544.88   6.084     41
    499.94   5.583     32
    498.31   5.564    120
    496.69   5.546    171
    495.00   5.528    120
    493.44   5.510     36
    355.63   3.971    517
    349.06   3.898    569
    184.88   2.065     45
    178.19   1.990     73
    176.19   1.968    426
    175.19   1.957    498
    174.63   1.950    497
    173.63   1.939    443
    172.56   1.927     67
    171.44   1.915     86
    164.81   1.841     37
     92.06   1.028     31
     89.50   1.000   1000
     82.94   0.927    768

in CDCl3