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91-20-3

萘(91-20-3)质谱(MS)

产品名称:

CAS:91-20-3

分子式:C10H8

分子量: 128.17

InChI:InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

InChIKey: UFWIBTONFRDIAS-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1434          
    naphthalene
    C10H8               (Mass of molecular ion:    128)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          39.0       1.4
          50.0       2.8
          51.0       7.2
          62.0       1.3
          63.0       4.6
          64.0       6.8
          74.0       2.7
          75.0       3.2
          76.0       2.4
          77.0       3.4
          78.0       2.3
         101.0       2.1
         102.0       6.1
         126.0       5.2
         127.0      10.8
         128.0     100.0
         129.0      11.0
    

400 MHz in CDCl3

parameter in acetone-d6

parameter CS2

90 MHz in CDCl3

parameter in CCl4

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    1H NMR 399.65 MHz
    C10 H8 10.5 mg : 0.5 ml CDCl3
    naphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.841 B 7.475

         Hz     ppm     Int.
    

       3142.58   7.864     52
       3141.36   7.861     88
       3138.55   7.854    796
       3136.84   7.849    105
       3135.25   7.845    549
       3132.45   7.838    580
       3130.49   7.834    130
       3129.03   7.830    831
       3126.10   7.823     88
       3125.00   7.820     64
       2995.61   7.496     92
       2994.75   7.494     99
       2991.94   7.487   1000
       2988.53   7.478    589
       2985.60   7.471    597
       2984.25   7.468     86
       2982.42   7.463    864
       2980.71   7.459     51
       2979.37   7.455     68
       2978.76   7.454     64
    

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    1H NMR 300 MHz
    C10 H8 1 M in acetone-d6
    naphthalene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.854 D(B) 7.461 J(A,A') 0.75 J(A,A'') 0.85 J(A,A''') -0.47 J(A,B) 8.32 J(A,B') 1.24 J(A,B'') -0.14 J(A,B''') 0.22 J(A',A'') -0.47 J(A',A''') 0.85 J(A',B) 1.24 J(A',B') 8.32 J(A',B'') 0.22 J(A',B''') -0.14 J(A'',A''') 0.75 J(A'',B) -0.14 J(A'',B') 0.22 J(A'',B'') 8.32 J(A'',B''') 1.24 J(A''',B) 0.22 J(A''',B') -0.14 J(A''',B'') 1.24 J(A''',B''') 8.32 J(B,B') 6.84 J(B,B'') 0.28 J(B,B''') 0.12 J(B',B'') 0.12 J(B',B''') 0.28 J(B'',B''') 6.84 CASSIDEI,L. & SCIACOVELLI,O. ORG.MAGN.RESON. 15, 257 (1981)

         Hz     ppm     Int.
    

       2363.94   7.880     94
       2361.14   7.870    806
       2357.82   7.859    688
       2354.92   7.850    715
       2351.57   7.839    916
       2348.55   7.828    120
       2246.13   7.487    118
       2242.96   7.477   1000
       2239.60   7.465    732
       2236.62   7.455    737
       2233.35   7.444    869
       2230.34   7.434     89
    

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    1H NMR 300 MHz
    C10 H8 5 wt% in CS2
    naphthalene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.685 D(B) 7.338 J(A,A') 0.74 J(A,A'') 0.85 J(A,A''') -0.45 J(A,B) 8.28 J(A,B') 1.24 J(A,B'') -0.10 J(A,B''') 0.23 J(A',A'') -0.45 J(A',A''') 0.85 J(A',B) 1.24 J(A',B') 8.28 J(A',B'') 0.23 J(A',B''') -0.10 J(A'',A''') 0.74 J(A'',B) -0.10 J(A'',B') 0.23 J(A'',B'') 8.28 J(A'',B''') 1.24 J(A''',B) 0.23 J(A''',B') -0.10 J(A''',B'') 1.24 J(A''',B''') 8.28 J(B,B') 6.85 J(B,B'') 0.25 J(B,B''') 0.10 J(B',B'') 0.10 J(B',B''') 0.25 J(B'',B''') 6.85 CRECELY,R.W. & GOLDSTEIN,J.H. ORG.MAGN.RESON. 2, 613 (1970)

         Hz     ppm     Int.
    

       2313.21   7.711     90
       2310.46   7.702    779
       2307.12   7.690    677
       2304.26   7.681    710
       2300.89   7.670    901
       2297.88   7.660    118
       2209.22   7.364    119
       2206.03   7.353   1000
       2202.67   7.342    733
       2199.71   7.332    738
       2196.45   7.321    852
       2193.42   7.311     86
    

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    1H NMR 89.56 MHz
    C10 H8 0.045 g : 0.5 ml CDCl3
    naphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.807 B 7.448

         Hz     ppm     Int.
    

        708.56   7.912     53
        707.56   7.901     74
        704.81   7.870    577
        701.50   7.833    562
        698.63   7.801    574
        695.25   7.763    895
        692.06   7.728    193
        689.06   7.694     30
        678.56   7.577     28
        678.06   7.572     27
        677.75   7.568     28
        676.63   7.556     31
        674.31   7.530    184
        671.00   7.493   1000
        667.44   7.453    606
        664.69   7.422    619
        661.44   7.386    632
        658.88   7.357     77
        658.75   7.356     77
        657.88   7.346     68
    

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    1H NMR 300 MHz
    C10 H8 0.8 M in CCl4
    naphthalene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.671 D(B) 7.316 J(A,A') 0.74 J(A,A'') 0.85 J(A,A''') -0.44 J(A,B) 8.28 J(A,B') 1.25 J(A,B'') -0.15 J(A,B''') 0.23 J(A',A'') -0.44 J(A',A''') 0.85 J(A',B) 1.25 J(A',B') 8.28 J(A',B'') 0.23 J(A',B''') -0.15 J(A'',A''') 0.74 J(A'',B) -0.15 J(A'',B') 0.23 J(A'',B'') 8.28 J(A'',B''') 1.25 J(A''',B) 0.28 J(A''',B') -0.15 J(A''',B'') 1.25 J(A''',B''') 8.28 J(B,B') 6.82 J(B,B'') 0.29 J(B,B''') 0.10 J(B',B'') 0.10 J(B',B''') 0.29 J(B'',B''') 6.82 CASSIDEI,L. & SCIACOVELLI,O. ORG.MAGN.RESON. 15, 257 (1981)

         Hz     ppm     Int.
    

       2309.00   7.697     86
       2306.24   7.687    787
       2302.91   7.676    670
       2300.06   7.667    701
       2296.70   7.656    907
       2293.72   7.646    116
       2202.60   7.342    115
       2199.43   7.331   1000
       2196.07   7.320    718
       2193.11   7.310    723
       2189.86   7.300    854
       2186.87   7.290     82
    

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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ANION RADICAL, REDUCTION WITH RB IN THF

ANION RADICAL, REDUCTION WITH ALKALI-METAL

ANION RADICAL, RED. WITH (CH3)3SIK IN N-HEXANE

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