Isobutyl acrylate(106-63-8) MS

Product NameIsobutyl acrylate

CAS 106-63-8

Molecular FormulaC7H12O2

Molecular Weight128.17

InChIInChI=1S/C7H12O2/c1-4-7(8)9-5-6(2)3/h4,6H,1,5H2,2-3H3

InChIKey CFVWNXQPGQOHRJ-UHFFFAOYSA-N

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

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Mass

MS-NW-5514          
isobutyl acrylate
C7H12O2             (Mass of molecular ion:    128)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       2.2
      27.0      19.3
      28.0       2.3
      29.0       6.1
      31.0       1.5
      39.0       4.3
      41.0      13.2
      42.0       1.8
      43.0       4.6
      55.0     100.0
      56.0      49.2
      57.0       5.0
      69.0       2.1
      70.0       2.5
      73.0      10.0
      85.0       9.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
isobutyl acrylate

    Assign.     Shift(ppm)

      A             6.375
      B             6.145
      C             5.817
      D             3.946
      E             1.957
      F             0.961
     
     J(A,B)=16.9HZ, J(A,C)=2.8HZ, J(B,C)=9.7HZ

     Hz     ppm     Int.

    585.69   6.540     60
    582.88   6.509     79
    568.81   6.352    242
    566.00   6.320    261
    560.56   6.260    210
    550.88   6.151    299
    534.00   5.963    133
    525.63   5.870    207
    522.81   5.838    197
    515.94   5.761    110
    513.19   5.731     97
    356.88   3.985    539
    350.25   3.911    587
    184.13   2.056     43
    178.38   1.992     22
    177.31   1.980     53
    170.75   1.907     49
    164.06   1.832     30
     88.94   0.994   1000
     82.38   0.920    756

in CDCl3