ALLYL CAPRYLATE(4230-97-1) Raman

Product NameALLYL CAPRYLATE

CAS 4230-97-1

Molecular FormulaC11H20O2

Molecular Weight184.28

InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3

InChIKey PZGMUSDNQDCNAG-UHFFFAOYSA-N

SmilesC(OCC=C)(=O)CCCCCCC

Request For Quotation

Mass

MS2015-05138CW      
allyl octanoate
C11H20O2            (Mass of molecular ion:    184)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      18.0       4.2
      27.0       8.0
      29.0      13.2
      39.0      13.1
      40.0       2.4
      41.0      56.3
      42.0       7.7
      43.0      30.7
      44.0       1.0
      45.0       1.8
      53.0       1.8
      54.0       9.6
      55.0      35.8
      56.0      10.6
      57.0     100.0
      58.0      11.0
      59.0       3.6
      60.0       1.4
      67.0       7.2
      68.0       1.2
      69.0       6.3
      70.0       1.9
      71.0       2.6
      72.0       1.1
      73.0       1.8
      79.0       1.4
      81.0       5.0
      82.0       8.4
      83.0      20.6
      84.0       3.9
      85.0       3.4
      87.0       1.5
      95.0       1.7
      97.0      14.2
      98.0       3.5
      99.0       4.8
     100.0      43.8
     101.0       5.2
     107.0       2.0
     109.0      10.1
     110.0       1.0
     113.0      20.1
     114.0       1.8
     125.0       7.4
     127.0      90.7
     128.0       8.5
     141.0       5.9
     155.0       3.5

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₀ O₂	0.04 ml : 0.5 ml CDCl₃
allyl octanoate

    Assign.     Shift(ppm)

      A             5.90
      B             5.33
      C             5.22
      D             4.573
      E             2.32
      F             1.63
      G          1.47 to 1.11
      J             0.88

     Hz     ppm     Int.

    551.06   6.153     54
    545.44   6.091    108
    541.00   6.041     70
    539.94   6.029     67
    535.38   5.978    122
    533.81   5.961     94
    530.00   5.918     78
    528.19   5.898    164
    523.81   5.849    127
    522.75   5.837    113
    518.13   5.786    214
    512.81   5.726    150
    485.31   5.419     93
    483.88   5.403    222
    483.44   5.398    198
    482.06   5.383    354
    480.63   5.367    169
    474.44   5.298    140
    473.25   5.285    295
    472.06   5.271    183
    471.44   5.264    204
    470.31   5.252    102
    468.13   5.227     76
    466.63   5.211    169
    464.81   5.190    171
    463.25   5.173    237
    462.63   5.166    120
    462.00   5.159    130
    461.44   5.153    193
    460.25   5.140    103
    413.50   4.618    320
    412.25   4.604    541
    411.00   4.590    334
    409.50   4.573     54
    408.06   4.557    292
    406.75   4.542    533
    405.38   4.527    313
    216.69   2.420    145
    215.63   2.408    142
    213.31   2.382     40
    209.06   2.335    380
    204.81   2.287     36
    201.38   2.249    327
    146.31   1.634    124
    115.88   1.294   1000
     84.25   0.941    194
     78.81   0.880    642
     72.50   0.810    131