Hexyl methacrylate(142-09-6) ¹³C NMR

Product NameHexyl methacrylate

CAS 142-09-6

Molecular FormulaC10H18O2

Molecular Weight170.25

InChIInChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h2,4-8H2,1,3H3

InChIKey LNCPIMCVTKXXOY-UHFFFAOYSA-N

SmilesC(OCCCCCC)(=O)C(C)=C

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Mass

MS-NW-4181          
hexyl methacrylate
C10H18O2            (Mass of molecular ion:    170)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.1
      18.0       1.3
      26.0       1.0
      27.0      11.5
      28.0       3.1
      29.0      13.0
      31.0       1.5
      38.0       1.1
      39.0      21.3
      40.0       5.7
      41.0      82.9
      42.0      28.7
      43.0      43.4
      44.0       1.5
      45.0       1.6
      53.0       1.4
      54.0       2.5
      55.0      31.9
      56.0      57.9
      57.0       6.1
      59.0       3.5
      67.0       1.4
      68.0       1.4
      69.0     100.0
      70.0       8.6
      71.0       1.1
      74.0       1.9
      82.0       1.1
      83.0       4.6
      84.0      46.3
      85.0       3.6
      86.0       3.1
      87.0      87.4
      88.0       5.1
      97.0       4.0
      99.0       1.5
     113.0       1.6
     127.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₈ O₂	10.6 mol% in CDCl₃
hexyl methacrylate

    Assign.     Shift(ppm)

      A             5.529
      B             6.090
      C             1.94
      D             4.135
      E             1.67
      F          1.18 to 1.50
      G             0.90
     
     J(A,C)=-1.6HZ
     J(A,B)=1.6HZ
     J(B,C)=-1.0HZ

     Hz     ppm     Int.

    547.88   6.118     73
    546.94   6.107    215
    545.94   6.096    264
    545.13   6.087    282
    544.19   6.077    233
    543.19   6.066     90
    498.63   5.568     59
    497.00   5.550    239
    495.38   5.532    343
    493.69   5.513    244
    492.06   5.495     71
    377.31   4.213    213
    370.81   4.141    566
    364.38   4.069    316
    175.13   1.956    811
    174.13   1.945   1000
    173.56   1.938    992
    172.56   1.927    866
    158.38   1.769     41
    156.38   1.747     69
    153.44   1.714     57
    153.06   1.710     59
    149.94   1.675    110
    145.13   1.621     74
    143.88   1.607    101
    143.06   1.598     92
    140.25   1.566     59
    137.56   1.536     62
    136.88   1.529     59
    136.38   1.523     57
    134.75   1.505     42
    133.56   1.492     45
    130.50   1.458     96
    129.44   1.446    106
    128.31   1.433     96
    124.94   1.396    151
    121.25   1.354    414
    120.31   1.344    410
    118.19   1.320    388
    116.44   1.301    422
    112.38   1.255    124
    109.94   1.228     85
    109.44   1.222     84
    109.00   1.218     83
    108.44   1.211     81
    106.81   1.193     49
     86.44   0.966    128
     85.63   0.957    139
     84.19   0.941    125
     83.31   0.931    120
     82.50   0.922    124
     80.25   0.897    487
     73.94   0.826    103
     72.75   0.813     87
     70.94   0.793     45
     70.63   0.789     43
     70.19   0.784     43

in CDCl3