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103-50-4

二芐醚(103-50-4)質(zhì)譜(MS)

產(chǎn)品名稱:二芐醚

CAS:103-50-4

分子式:C14H14O

分子量: 198.26

InChI:InChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey: MHDVGSVTJDSBDK-UHFFFAOYSA-N

Smiles:O(CC1=CC=CC=C1)CC1=CC=CC=C1

  • 圖譜
    Mass

    MS-NW-0561          
    benzyl ether
    C14H14O             (Mass of molecular ion:    198)
    

       Source Temperature: 270 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.4
          27.0       1.1
          39.0       5.1
          41.0       1.3
          50.0       2.7
          51.0       7.1
          52.0       1.9
          63.0       2.2
          65.0      11.3
          77.0      14.6
          78.0       2.7
          79.0      18.4
          80.0       1.2
          89.0       2.0
          90.0       1.7
          91.0      67.9
          92.0     100.0
          93.0       7.6
         105.0       9.6
         106.0       4.7
         107.0      15.7
         108.0       2.7
         120.0       1.0
         167.0       1.0
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C14 H14 O 0.04 ml : 0.5 ml CDCl3
    benzyl ether
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.36 to 7.27 B 4.540

         Hz     ppm     Int.
    

        662.63   7.399     81
        658.63   7.355    182
        656.00   7.325   1000
        653.25   7.294    239
        651.25   7.272     76
        649.75   7.255     46
        648.13   7.237     43
        646.38   7.218     27
        642.25   7.172     26
        406.63   4.541    877
    

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

4880 A,100M,liquid

  • 圖譜

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