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返回ChemicalBook首页>CAS数据库列表>3260-88-6更多图谱> 3-氯-2-甲基苯甲醚(3260-88-6)红外图谱(IR1)

3260-88-6

3-氯-2-甲基苯甲醚(3260-88-6)红外图谱(IR1)

分子式:C8H9ClO

分子量: 156.61

InChI:InChI=1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3

InChIKey: LTVRGAWOEOKGJZ-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(OC)=C1C

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    Mass

    MS-KW-0406          
    3-chloro-2-methylanisole
    C8H9ClO             (Mass of molecular ion:    156)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       1.4
          27.0       1.9
          28.0       1.0
          38.0       2.5
          39.0       6.2
          43.0       1.0
          50.0       6.2
          51.0      17.5
          52.0       5.3
          53.0       1.8
          61.0       1.5
          62.0       3.0
          63.0       7.6
          64.0       1.2
          65.0       3.5
          73.0       2.6
          74.0       2.3
          75.0       3.8
          76.0       1.4
          77.0      50.1
          78.0      11.7
          79.0       1.3
          86.0       1.0
          87.0       1.6
          89.0      13.4
          90.0       5.0
          91.0      43.6
          92.0       3.6
          93.0       5.7
          99.0       2.6
         105.0       2.7
         106.0       1.4
         112.0       1.8
         113.0       4.6
         115.0       1.5
         121.0      56.8
         122.0       5.3
         124.0       4.5
         125.0      13.7
         126.0       3.4
         127.0       5.3
         141.0      39.1
         142.0       3.5
         143.0      12.7
         144.0       1.0
         152.0       1.1
         155.0       6.7
         156.0     100.0
         157.0      11.0
         158.0      31.7
         159.0       2.8
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8H9ClO 0.05 ml : 0.5 ml CDCl3
    3-chloro-2-methylanisole
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.035 B 6.947 C 6.693 D 3.779 E 2.261

         Hz     ppm     Int.
    

       2821.54   7.058     65
       2821.05   7.057     62
       2813.48   7.038    156
       2812.99   7.037    147
       2805.30   7.018    107
       2804.81   7.016    101
       2780.77   6.956    151
       2779.67   6.953    155
       2772.59   6.936    102
       2771.49   6.933     98
       2679.57   6.703    126
       2671.03   6.682    111
       1514.17   3.788     78
       1510.50   3.779   1000
       1505.01   3.765     20
        903.69   2.261    790
    

in CDCl3

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