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581-40-8

2,3-二甲基萘(581-40-8)核磁图(13CNMR)

产品名称:2,3-二甲基萘

CAS:581-40-8

分子式:C12H12

分子量: 156.22

InChI:InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3

InChIKey: WWGUMAYGTYQSGA-UHFFFAOYSA-N

Smiles:C1=C2C(C=CC=C2)=CC(C)=C1C

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    Mass

    MS-NW-4435          
    2,3-dimethylnaphthalene
    C12H12              (Mass of molecular ion:    156)
    

       Source Temperature: 230 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       1.3
          39.0       2.6
          50.0       1.7
          51.0       3.9
          57.5       1.7
          62.0       1.3
          63.0       4.7
          64.0       3.8
          65.0       1.1
          70.5       2.7
          74.0       1.5
          75.0       2.0
          76.0       6.1
          76.5       1.4
          77.0       5.5
          78.0       3.7
          87.0       1.0
          89.0       1.6
         102.0       1.2
         115.0      13.7
         116.0       1.9
         126.0       1.3
         127.0       4.5
         128.0       8.6
         129.0       4.2
         139.0       5.1
         140.0       1.5
         141.0      70.9
         142.0       9.7
         151.0       2.1
         152.0       6.2
         153.0       7.8
         154.0       3.9
         155.0      23.7
         156.0     100.0
         157.0      13.0
         165.0       1.0
         166.0       1.2
         168.0       1.3
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C12 H12 0.044 g : 0.5 ml CDCl3
    2,3-dimethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.74 B 7.61 C 7.41 D 2.44

         Hz     ppm     Int.
    

        699.13   7.807     79
        695.81   7.770     78
        692.94   7.738     86
        689.50   7.699    127
        686.69   7.668     29
        681.25   7.607    229
        670.88   7.491     34
        667.44   7.453    194
        664.38   7.419     91
        661.19   7.383    111
        657.94   7.347    116
        219.13   2.447   1000
        218.69   2.442    965
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,100M,powder

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