71209-71-7

丁基苯丙酮(71209-71-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:丁基苯丙酮

CAS:71209-71-7

分子式:C13H18O

分子量: 190.28

InChI:InChI=1S/C13H18O/c1-5-12(14)10-6-8-11(9-7-10)13(2,3)4/h6-9H,5H2,1-4H3

InChIKey: AQNYEAINONORRY-UHFFFAOYSA-N

Smiles:C(C1=CC=C(C(C)(C)C)C=C1)(=O)CC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5646          
4'-tert-butylpropiophenone
C13H18O             (Mass of molecular ion:    190)

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

      27.0       1.0
      29.0       4.2
      39.0       1.5
      41.0       2.6
      51.0       1.7
      55.0       1.3
      57.0       6.4
      65.0       1.2
      77.0       2.9
      90.0       1.5
      91.0       5.8
     103.0       1.8
     105.0       2.7
     115.0       4.0
     116.0       1.2
     117.0       3.7
     118.0       6.7
     119.0       2.3
     129.0       1.1
     131.0       1.1
     133.0       2.7
     145.0       1.2
     146.0       8.5
     147.0       2.8
     157.0       4.4
     161.0     100.0
     162.0      12.3
     172.0       1.5
     175.0       8.0
     176.0       1.0
     190.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₁₈ O	0.05 ml : 0.5 ml CDCl₃
4'-tert-butylpropiophenone

    Assign.     Shift(ppm)

      A             7.910
      B             7.464
      C             2.969
      D             1.331
      E             1.213

     Hz     ppm     Int.

   3167.72   7.927     33
   3165.65   7.922    190
   3163.57   7.916     67
   3158.94   7.905     72
   3156.86   7.900    198
   3154.79   7.894     35
   2989.26   7.480     39
   2987.18   7.475    207
   2985.11   7.470     70
   2980.47   7.458     69
   2978.39   7.453    183
   2976.32   7.448     30
   1197.88   2.998     73
   1190.55   2.979    216
   1183.35   2.961    224
   1176.03   2.943     78
    540.41   1.353     34
    532.10   1.332   1000
    491.82   1.231    240
    484.62   1.213    415
    477.29   1.195    225

in CDCl3