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1127-76-0

1-乙基萘(1127-76-0)Raman光谱

产品名称:1-乙基萘

CAS:1127-76-0

分子式:C12H12

分子量: 156.22

InChI:InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3

InChIKey: ZMXIYERNXPIYFR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-0052          
    1-ethylnaphthalene
    C12H12              (Mass of molecular ion:    156)
    

       Source Temperature: 220 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          27.0       1.2
          39.0       2.3
          50.0       1.8
          51.0       3.0
          57.5       1.2
          62.0       1.4
          63.0       4.2
          64.0       1.0
          65.0       1.0
          70.5       1.7
          74.0       2.1
          75.0       2.4
          76.0       2.6
          77.0       2.7
          78.0       1.3
          87.0       1.3
          89.0       2.2
          91.0       1.0
         101.0       1.1
         102.0       1.6
         113.0       1.0
         115.0      21.2
         116.0       2.9
         126.0       2.5
         127.0       4.4
         128.0       7.6
         129.0       2.6
         139.0       5.6
         140.0       1.5
         141.0     100.0
         142.0      12.3
         151.0       2.0
         152.0       5.5
         153.0       5.3
         154.0       1.8
         155.0       4.3
         156.0      54.9
         157.0       7.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H12 21.1 mg : 0.5 ml CDCl3
    1-ethylnaphthalene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.048 B 7.841 C 7.695 D 7.49 E 7.46 F 7.396 G 7.332 J 3.105 K 1.375

         Hz     ppm     Int.
    

       3221.80   8.062     87
       3220.83   8.060    105
       3213.50   8.041     94
       3212.65   8.039    109
       3139.04   7.855     96
       3138.18   7.853     88
       3137.08   7.850     76
       3131.23   7.835    124
       3129.52   7.831    112
       3079.71   7.707    107
       3071.66   7.686    124
       3005.00   7.520     52
       3003.42   7.516     64
       2998.17   7.502    121
       2996.70   7.499    121
       2995.12   7.495     60
       2990.23   7.483    138
       2988.40   7.478    212
       2986.82   7.474    149
       2981.69   7.461     64
       2980.47   7.458    117
       2979.13   7.455    116
       2973.75   7.441     57
       2972.41   7.438     49
       2964.11   7.417    106
       2957.15   7.400    173
       2956.18   7.397    107
       2948.97   7.379    152
       2932.74   7.339    140
       2926.15   7.322     84
       2925.78   7.321     84
       1252.44   3.134     83
       1244.87   3.115    246
       1237.30   3.096    252
       1229.86   3.078     88
        557.13   1.395    504
        554.81   1.389     35
        549.56   1.376   1000
        547.24   1.370     61
        541.99   1.357    488
        539.67   1.351     35
    

in CDCl3

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