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101-48-4

苯基乙醛二甲羧醛(101-48-4)Raman光谱

分子式:C10H14O2

分子量: 166.22

InChI:InChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChIKey: WNJSKZBEWNVKGU-UHFFFAOYSA-N

Smiles:C1(CC(OC)OC)=CC=CC=C1

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    Mass

    MS-IW-4790          
    phenylacetaldehyde dimethyl acetal
    C10H14O2            (Mass of molecular ion:    166)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.6
          28.0       1.0
          29.0       2.7
          31.0       6.6
          32.0       2.6
          39.0       4.4
          41.0       1.2
          47.0      13.6
          50.0       1.8
          51.0       4.5
          62.0       1.0
          63.0       3.4
          64.0       1.0
          65.0      10.1
          74.0       1.0
          75.0     100.0
          76.0       5.1
          77.0       5.6
          78.0       1.3
          79.0       1.0
          89.0       3.4
          90.0       2.6
          91.0      44.1
          92.0       4.6
         102.0       1.3
         103.0      12.1
         104.0       1.8
         105.0       5.5
         115.0       1.1
         117.0       2.2
         118.0       1.0
         119.0       6.6
         120.0       1.6
         134.0      29.0
         135.0      22.6
         136.0       2.3
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H14 O2 0.05 ml : 0.5 ml CDCl3
    phenylacetaldehyde dimethyl acetal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.273 B 7.23 C 7.20 D 4.532 E 3.319 F 2.902

         Hz     ppm     Int.
    

       2916.99   7.299     38
       2915.77   7.296     55
       2909.42   7.280     96
       2908.57   7.278    133
       2907.47   7.276     98
       2903.44   7.265     55
       2901.49   7.261    158
       2892.58   7.238    121
       2890.87   7.234    182
       2888.43   7.228     45
       2885.38   7.220     97
       2884.16   7.217    124
       2879.27   7.205     36
       2876.95   7.199     77
       1817.14   4.547     82
       1811.52   4.533    160
       1805.79   4.519     84
       1326.66   3.320   1000
       1162.72   2.910    205
       1157.10   2.896    200
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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