對乙基苯丙酮(27465-51-6)紅外圖譜(IR1)

產(chǎn)品名稱:對乙基苯丙酮

CAS:27465-51-6

分子式:C11H14O

分子量: 162.23

InChI:InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3

InChIKey: VGQRIILEZYZAOE-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7450          
4'-ethylpropiophenone
C11H14O             (Mass of molecular ion:    162)

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

      27.0       2.0
      29.0       1.9
      39.0       1.5
      50.0       1.0
      51.0       2.5
      63.0       1.4
      65.0       1.2
      77.0       8.5
      78.0       1.7
      79.0       9.5
      89.0       1.9
      90.0       1.8
      91.0       1.1
     103.0       5.8
     104.0       1.8
     105.0      18.4
     106.0       1.6
     129.0       1.2
     133.0     100.0
     134.0      10.0
     162.0       7.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₄ O	0.05 ml : 0.5 ml CDCl₃
4'-ethylpropiophenone

    Assign.     Shift(ppm)

      A             7.885
      B             7.263
      C             2.961
      D             2.685
      E             1.244
      F             1.207

     Hz     ppm     Int.

   3157.71   7.902     59
   3155.76   7.897    321
   3153.93   7.892    118
   3149.29   7.881    124
   3147.34   7.876    355
   3145.51   7.871     60
   2907.84   7.276    146
   2906.62   7.273    296
   2906.13   7.272    258
   2904.66   7.269    106
   2900.02   7.257    106
   2898.68   7.254    239
   2898.07   7.252    287
   2896.24   7.247     49
   1194.58   2.990    150
   1187.26   2.971    460
   1179.93   2.953    484
   1172.73   2.935    169
   1084.84   2.715     82
   1077.15   2.696    245
   1069.58   2.677    255
   1062.01   2.658     92
    505.00   1.264    501
    500.73   1.253     46
    497.31   1.245    953
    495.00   1.239     41
    491.58   1.231     97
    489.87   1.226    865
    487.55   1.220     45
    486.57   1.218     36
    482.67   1.208   1000
    480.47   1.203     46
    477.91   1.196     38
    475.46   1.190    517

in CDCl3