4'-N-OCTYLACETOPHENONE(10541-56-7) IR1

Product Name4'-N-OCTYLACETOPHENONE

CAS 10541-56-7

Molecular FormulaC16H24O

Molecular Weight232.36

InChIInChI=1S/C16H24O/c1-3-4-5-6-7-8-9-15-10-12-16(13-11-15)14(2)17/h10-13H,3-9H2,1-2H3

InChIKey GARQDIVXKVBJFP-UHFFFAOYSA-N

SmilesC(=O)(C1=CC=C(CCCCCCCC)C=C1)C

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9471          
4'-octylacetophenone
C16H24O             (Mass of molecular ion:    232)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       1.1
      29.0       1.9
      41.0       3.3
      43.0      11.0
      55.0       1.4
      57.0       1.7
      77.0       1.8
      89.0       1.3
      90.0       3.3
      91.0      14.3
      92.0       1.7
     103.0       1.5
     104.0       1.0
     105.0       5.7
     118.0       2.3
     119.0       1.1
     131.0       2.7
     133.0       3.6
     134.0       3.6
     147.0       1.4
     217.0     100.0
     218.0      16.5
     219.0       1.4
     232.0      12.8
     233.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₂₄ O	0.05 ml : 0.5 ml CDCl₃
4'-octylacetophenone

    Assign.     Shift(ppm)

      A             7.869
      B             7.249
      C             2.645
      D             2.559
      E             1.618
      F             1.30
      G             1.26
      J             0.875

     Hz     ppm     Int.

   3151.25   7.886     36
   3149.29   7.881    226
   3147.46   7.876     80
   3142.82   7.864     80
   3140.87   7.860    240
   3139.04   7.855     45
   2901.49   7.261    205
   2899.54   7.256     72
   2894.90   7.244     67
   2893.07   7.240    189
   1064.70   2.665    102
   1057.13   2.646    127
   1049.32   2.626    111
   1025.51   2.567     31
   1022.71   2.560   1000
    654.17   1.637     44
    646.85   1.619     64
    639.28   1.600     50
    524.05   1.312    144
    519.65   1.301    181
    512.33   1.282    130
    510.01   1.277    140
    505.00   1.264    196
    356.69   0.893    115
    349.85   0.876    368
    342.77   0.858    153

in CDCl3