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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>623-13-2更多圖譜> 1-甲基-4-甲硫基苯(623-13-2)核磁圖(13CNMR)

623-13-2

1-甲基-4-甲硫基苯(623-13-2)核磁圖(13CNMR)

產(chǎn)品名稱:1-甲基-4-甲硫基苯

CAS:623-13-2

分子式:C8H10S

分子量: 138.23

InChI:InChI=1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

InChIKey: VHILIAIEEYLJNA-UHFFFAOYSA-N

Smiles:C1(C)=CC=C(SC)C=C1

  • 圖譜
    Mass

    MS-NW-7790          
    methyl p-tolyl sulfide
    C8H10S              (Mass of molecular ion:    138)
    

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

          15.0       1.6
          27.0       2.2
          38.0       1.7
          39.0      10.3
          41.0       1.5
          45.0      22.4
          46.0       1.2
          47.0       1.5
          50.0       3.1
          51.0       5.2
          52.0       1.6
          53.0       2.0
          61.0       1.0
          62.0       2.3
          63.0       6.1
          64.0       1.3
          65.0       7.6
          69.0       4.4
          70.0       1.3
          71.0       1.4
          77.0       8.8
          78.0       4.5
          79.0      11.6
          82.0       1.1
          89.0       3.5
          90.0       1.2
          91.0      53.7
          92.0      10.2
          93.0       1.6
          95.0       1.0
          97.0       1.9
         105.0       4.8
         108.0       1.8
         121.0       6.1
         122.0       4.1
         123.0      27.3
         124.0       2.6
         125.0       1.2
         137.0      11.7
         138.0     100.0
         139.0      10.4
         140.0       5.0
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H10 S 0.05 ml : 0.5 ml CDCl3
    methyl p-tolyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 7.13 B *1 7.07 C 2.408 D 2.274

         Hz     ppm     Int.
    

        646.25   7.216     62
        643.69   7.188     44
        640.31   7.150     92
        637.63   7.120    425
        634.75   7.088    356
        628.75   7.021     57
        628.25   7.015     58
        626.19   6.992     71
        215.75   2.410   1000
        203.75   2.276    689
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

  • 圖譜

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