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70356-09-1

阿伏苯宗(70356-09-1)核磁图(13CNMR)

产品名称:阿伏苯宗

CAS:70356-09-1

分子式:C20H22O3

分子量: 310.39

InChI:InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3

InChIKey: XNEFYCZVKIDDMS-UHFFFAOYSA-N

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

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    Mass

    MS2009-03966CW      
    1-(p-tert-butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione
    C20H22O3            (Mass of molecular ion:    310)
    

       Source Temperature: 245 °C
       Sample Temperature:  25 °C
       Direct, 70 eV
    

          18.0       3.3
          27.0       1.1
          28.0       1.0
          29.0       2.2
          39.0       3.7
          41.0       6.3
          50.0       1.6
          51.0       3.5
          52.0       1.1
          53.0       1.3
          55.0       1.1
          57.0       7.1
          63.0       3.8
          64.0       4.9
          65.0       4.1
          69.0      23.1
          75.0       1.4
          76.0       3.3
          77.0      24.0
          78.0       6.4
          79.0       3.0
          89.0       3.7
          90.0       4.1
          91.0      13.9
          92.0      12.1
          93.0       1.9
          94.0       2.2
         102.0       2.1
         103.0       5.0
         104.0       1.8
         105.0       3.5
         106.0       1.1
         107.0       8.5
         108.0      29.8
         109.0       8.0
         115.0      10.1
         116.0       3.0
         117.0      10.7
         118.0      10.6
         119.0       3.6
         119.5       4.1
         120.0       1.6
         121.0       4.0
         126.0       1.3
         127.0       1.1
         128.0       1.7
         129.0       1.1
         131.0       3.8
         132.0       3.2
         133.0       5.5
         133.5       4.2
         134.0       1.7
         135.0     100.0
         136.0       8.7
         141.0       1.6
         145.0       9.4
         146.0       5.2
         147.0       3.4
         147.5       4.6
         148.0       1.8
         159.0       3.2
         161.0      42.5
         162.0       5.2
         163.0       1.2
         165.0       1.4
         176.0       1.4
         177.0      13.8
         178.0       2.2
         187.0       6.4
         188.0       1.1
         197.0       1.1
         203.0       2.4
         211.0       1.2
         225.0       1.8
         239.0       1.4
         253.0      10.9
         254.0       2.1
         267.0       4.4
         268.0       1.0
         277.0       1.1
         279.0       2.0
         282.0       1.4
         283.0       1.0
         284.0       1.8
         293.0       2.1
         294.0       1.3
         295.0      40.9
         296.0       8.5
         297.0       1.1
         309.0      52.5
         310.0      83.2
         311.0      17.6
         312.0       2.4
         321.0       1.2
         335.0       1.1
         336.0       1.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C20 H22 O3 0.040 g : 0.5 ml CDCl3
    1-(p-tert-butylphenyl)-3-(p-methoxyphenyl)-1,3-propanedione
    ChemicalStructure
        Assign.     Shift(ppm)
    A 17.05 B 7.969 C 7.910 D 7.493 E 6.972 F 6.779 G 3.869 J 1.352

         Hz     ppm     Int.
    

       6815.43  17.054     21
       3189.45   7.981     91
       3187.50   7.976     29
       3182.62   7.964     31
       3180.42   7.959     90
       3166.02   7.922     79
       3164.06   7.918     28
       3159.18   7.905     27
       3157.23   7.900     88
       2999.02   7.505     87
       2997.07   7.500     29
       2992.19   7.488     29
       2990.23   7.483     80
       2790.77   6.984     92
       2788.57   6.978     32
       2783.94   6.966     27
       2781.74   6.961     89
       2709.23   6.780    126
       1546.39   3.870    392
        540.77   1.354   1000
    

in CDCl3

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KBr disc

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nujol mull

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