2142-73-6

2,5-二甲基苯乙酮(2142-73-6)核磁圖(¹³CNMR)

產品名稱:2,5-二甲基苯乙酮

CAS:2142-73-6

分子式:C10H12O

分子量: 148.2

InChI:InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3

InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N

Smiles:C(=O)(C1=CC(C)=CC=C1C)C

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9200          
2',5'-dimethylacetophenone
C10H12O             (Mass of molecular ion:    148)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.6
      39.0       5.2
      41.0       1.2
      43.0      10.5
      50.0       2.0
      51.0       7.6
      52.0       2.0
      53.0       2.7
      59.0       1.1
      62.0       1.0
      63.0       3.4
      64.0       1.1
      65.0       3.2
      66.0       1.1
      73.0       1.3
      74.0       1.5
      77.0      16.5
      78.0       4.8
      79.0      16.6
      80.0       1.1
      89.0       1.4
      91.0       4.5
     102.0       1.4
     103.0      10.8
     104.0       3.6
     105.0      80.8
     106.0       7.6
     115.0       1.7
     133.0     100.0
     134.0      10.0
     147.0       1.0
     148.0      49.0
     149.0       5.6

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2',5'-dimethylacetophenone

    Assign.     Shift(ppm)

      A             7.46
      B     *1      7.13
      C     *1      7.12
      D             2.535
      E     *2      2.461
      F     *2      2.338

     Hz     ppm     Int.

    668.63   7.466     99
    639.06   7.136    115
    637.38   7.117    193
    629.31   7.027     25
    227.06   2.536   1000
    224.13   2.503     82
    220.50   2.463    465
    214.50   2.396     40
    209.44   2.339    426
    204.13   2.280     39

¹H NMR	399.65 MHz
C₁₀ H₁₂ O	0.05 ml : 0.5 ml CDCl₃
2',5'-dimethylacetophenone

    Assign.     Shift(ppm)

      A             7.472
      B             7.150
      C             7.089
      D             2.534
      E     *1      2.462
      F     *1      2.335

     Hz     ppm     Int.

   2986.69   7.474    144
   2985.47   7.471    144
   2862.67   7.163     59
   2861.33   7.160     57
   2854.86   7.144    101
   2853.64   7.141     98
   2836.06   7.097    160
   2828.25   7.077     91
   1015.14   2.541     96
   1012.70   2.534   1000
   1009.40   2.526     49
    984.01   2.463    564
    933.47   2.336    541

in CDCl3