728-87-0

二甲氧基苯甲醇(728-87-0)質(zhì)譜(MS)

產(chǎn)品名稱:二甲氧基苯甲醇

CAS:728-87-0

分子式:C15H16O3

分子量: 244.29

InChI:InChI=1S/C15H16O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,15-16H,1-2H3

InChIKey: ZODAOVNETBTTJX-UHFFFAOYSA-N

Smiles:C1(=CC=C(OC)C=C1)C(O)C1C=CC(OC)=CC=1

Mass

MS-NW-6941          
4,4'-dimethoxybenzhydrol
C15H16O3            (Mass of molecular ion:    244)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       1.4
      18.0       4.0
      39.0       3.0
      50.0       1.7
      51.0       3.0
      53.0       1.0
      63.0       3.6
      64.0       4.1
      65.0       4.1
      66.0       2.4
      75.0       1.2
      76.0       2.2
      77.0      16.3
      78.0       4.4
      79.0       2.0
      91.0       1.5
      92.0       6.9
      93.0       1.5
      94.0       5.9
     105.0       3.2
     107.0       5.6
     108.0      28.3
     109.0      32.0
     110.0       2.7
     113.0       1.4
     113.5       1.5
     115.0       2.6
     121.0       2.4
     122.0       2.1
     128.0       1.2
     135.0     100.0
     136.0      11.0
     137.0      13.0
     138.0       1.3
     139.0       1.7
     141.0       2.7
     152.0       1.9
     153.0       1.6
     168.0       1.1
     169.0       2.4
     183.0       1.0
     184.0       1.3
     195.0       1.0
     197.0       4.5
     211.0       2.9
     212.0       2.8
     213.0       5.2
     214.0       1.0
     227.0      18.2
     228.0       9.5
     229.0       1.7
     242.0       6.2
     243.0       9.3
     244.0      39.4
     245.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₅ H₁₆ O₃	0.035 g : 0.5 ml CDCl₃
4,4'-dimethoxybenzhydrol

    Assign.     Shift(ppm)

      A             7.249
      B             6.843
      C             5.722
      D             3.766
      E             2.34
     
     J(C,E)=3.2HZ

     Hz     ppm     Int.

   2904.79   7.269     26
   2901.98   7.262    207
   2899.90   7.257     65
   2895.26   7.245     77
   2892.94   7.239    264
   2890.38   7.233     28
   2742.19   6.862     35
   2739.26   6.855    278
   2737.18   6.849     85
   2732.67   6.838     85
   2730.47   6.833    252
   2727.54   6.825     29
   2288.57   5.727     47
   2285.40   5.719     46
   1505.00   3.766   1000
    938.72   2.349     68
    935.30   2.341     61

in CDCl3