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90-12-0

1-甲基萘(90-12-0)ESR图谱

产品名称:1-甲基萘

CAS:90-12-0

分子式:C11H10

分子量: 142.2

InChI:InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3

InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0055          
    1-methylnaphthalene
    C11H10              (Mass of molecular ion:    142)
    

       Source Temperature: 210 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          18.0       1.4
          28.0       1.0
          39.0       2.6
          50.0       1.5
          51.0       2.4
          57.5       5.3
          58.0       1.0
          62.0       1.5
          63.0       4.3
          65.0       1.6
          69.0       1.4
          69.5       3.1
          70.0       3.7
          70.5       3.9
          71.0       6.4
          74.0       1.7
          75.0       1.6
          77.0       1.7
          87.0       1.1
          89.0       3.4
          91.0       4.1
         106.0       1.8
         113.0       1.3
         115.0      21.7
         116.0       2.4
         126.0       1.0
         139.0       8.6
         140.0       2.1
         141.0      78.4
         142.0     100.0
         143.0      11.3
         147.0       4.8
         148.0       4.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C11 H10 55.7 mg : 0.5 ml CDCl3
    1-methylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.958 B 7.808 C 7.672 D 7.48 E 7.45 F 7.336 G 7.279 J 2.654 THE SHIFT VALUES OF D,E WERE CALCULATED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

       3185.42   7.971    112
       3184.20   7.968    124
       3183.23   7.966    105
       3178.47   7.954     63
       3177.37   7.951    113
       3176.39   7.948    136
       3175.66   7.947    130
       3125.85   7.822    120
       3123.54   7.816     80
       3118.16   7.803    167
       3116.33   7.798    135
       3070.56   7.684    124
       3070.07   7.682    124
       3062.50   7.663    138
       3061.89   7.662    139
       2997.92   7.502     66
       2996.34   7.498     79
       2991.09   7.485    163
       2989.50   7.481    146
       2988.16   7.477     66
       2983.40   7.466    330
       2981.32   7.460    317
       2976.44   7.448     74
       2975.46   7.446    140
       2974.00   7.442    148
       2968.63   7.429     69
       2967.16   7.425     55
       2940.06   7.357    124
       2933.11   7.340    205
       2924.93   7.319    194
       2912.84   7.289    132
       2911.74   7.286    173
       2910.77   7.284    131
       2905.88   7.272     76
       2904.91   7.269    101
       2903.81   7.266     71
       1060.55   2.654   1000
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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ANION RADICAL, REDUCTION WITH NA IN THF, 26C

ANION RADICAL, REDUCTION WITH NA IN THF, -76C

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