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2589-72-2

4'-羟基苯己酮(2589-72-2)核磁图(13CNMR)

产品名称:4'-羟基苯己酮

CAS:2589-72-2

分子式:C12H16O2

分子量: 192.25

InChI:InChI=1S/C12H16O2/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h6-9,13H,2-5H2,1H3

InChIKey: YDGNMJZDWLQUTE-UHFFFAOYSA-N

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

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    Mass

    MS-IW-8194          
    4'-hydroxyhexanophenone
    C12H16O2            (Mass of molecular ion:    192)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          18.0       1.9
          27.0       1.1
          29.0       1.0
          39.0       3.3
          41.0       1.2
          43.0       1.0
          55.0       1.5
          65.0       7.4
          93.0      11.9
          94.0       1.7
         121.0     100.0
         122.0       7.9
         123.0       1.0
         136.0      72.0
         137.0       6.5
         149.0       6.3
         192.0       7.4
         193.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H16 O2 0.033 g : 0.5 ml CDCl3
    4'-hydroxyhexanophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.08 B 7.919 C 6.966 D 2.939 E 1.734 F 1.35 G 0.887

         Hz     ppm     Int.
    

       3228.76   8.079    746
       3172.24   7.938     99
       3169.43   7.931    820
       3167.48   7.926    235
       3162.72   7.914    272
       3160.77   7.909    853
       3157.84   7.902     91
       2791.26   6.985    106
       2788.57   6.978    867
       2786.62   6.973    240
       2781.74   6.961    266
       2779.79   6.956    828
       2776.98   6.949     86
       1182.25   2.959    457
       1174.93   2.940    635
       1171.88   2.933     88
       1167.24   2.921    508
        707.64   1.771     50
        702.64   1.759     85
        700.07   1.752    176
        697.51   1.746    120
        692.63   1.734    254
        687.87   1.722    138
        685.30   1.715    194
        680.66   1.704     54
        677.98   1.697     69
        555.79   1.391     30
        553.83   1.386     32
        550.42   1.378     84
        547.49   1.370    262
        544.07   1.362    327
        543.21   1.360    336
        540.41   1.353    813
        536.87   1.344    499
        533.08   1.334    546
        526.73   1.318     85
        366.46   0.917     34
        361.69   0.906    401
        359.01   0.899    211
        354.61   0.888   1000
        352.17   0.882    321
        350.10   0.877    208
        347.53   0.870    316
    

in CDCl3

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KBr disc

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nujol mull

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