octyl benzoate (94-50-8) ¹³C NMR

Product Nameoctyl benzoate

CAS 94-50-8

Molecular FormulaC15H22O2

Molecular Weight234.33

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3822          
octyl benzoate
C15H22O2            (Mass of molecular ion:    234)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       2.1
      29.0       3.4
      39.0       2.0
      41.0       8.5
      42.0       4.2
      43.0       6.6
      50.0       1.3
      51.0       6.0
      54.0       1.2
      55.0       9.4
      56.0      11.5
      57.0       4.1
      67.0       1.1
      68.0       2.4
      69.0       9.1
      70.0      15.0
      71.0       2.3
      76.0       1.6
      77.0      32.1
      78.0       2.7
      79.0       5.1
      82.0       2.5
      83.0      10.2
      84.0      10.1
      97.0       1.3
     105.0      82.0
     106.0       6.9
     112.0      13.3
     113.0       1.2
     122.0      13.1
     123.0     100.0
     124.0       8.0
     234.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₂₂ O₂	0.05 ml : 0.5 ml CDCl₃
octyl benzoate

    Assign.     Shift(ppm)

      A             8.050
      B             7.525
      C             7.419
      D             4.309
      E             1.754
      F             1.44
      G          1.36 to 1.30
      J             1.28
      K             0.882

     Hz     ppm     Int.

   3223.39   8.066     83
   3221.68   8.062    441
   3221.07   8.060    442
   3220.34   8.058    567
   3215.33   8.046    175
   3213.26   8.041    620
   3211.91   8.037    540
   3017.58   7.551     71
   3016.24   7.548    137
   3014.89   7.544     84
   3010.86   7.534     99
   3008.79   7.529    321
   3006.84   7.524    127
   3002.81   7.514    149
   3001.46   7.511    253
   3000.00   7.507    145
   2972.29   7.438    435
   2970.83   7.434    204
   2968.51   7.428     50
   2965.58   7.421    364
   2964.48   7.418    613
   2958.74   7.404    129
   2957.15   7.400    302
   2956.42   7.398    237
   1728.88   4.326    465
   1722.17   4.310    921
   1715.45   4.293    486
    715.94   1.792     82
    709.23   1.775    258
    702.27   1.758    316
    694.34   1.738    298
    687.62   1.721    127
    587.04   1.469     45
    580.81   1.454    130
    578.74   1.449    123
    573.36   1.435    206
    565.55   1.416    180
    558.59   1.398     98
    552.61   1.383     62
    545.29   1.365    134
    543.33   1.360    141
    539.06   1.349    188
    533.94   1.337    253
    530.52   1.328    306
    528.56   1.323    316
    522.34   1.307    409
    517.46   1.295    444
    511.47   1.280    613
    359.99   0.901    328
    353.27   0.884   1000
    346.07   0.866    411

in CDCl3