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1438-91-1

糠基甲基硫醚(1438-91-1)質(zhì)譜(MS)

產(chǎn)品名稱:糠基甲基硫醚

CAS:1438-91-1

分子式:C6H8OS

分子量: 128.19

InChI:InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3

InChIKey: SKSFHXVDHVKIBN-UHFFFAOYSA-N

Smiles:O1C=CC=C1CSC

  • 圖譜
    Mass

    MS-NW-8595          
    furfuryl methyl sulfide
    C6H8OS              (Mass of molecular ion:    128)
    

       Source Temperature: 250 °C
       Sample Temperature: 140 °C
       Reservoir, 75 eV
    

          26.0       1.1
          27.0      10.0
          29.0       1.5
          38.0       1.3
          39.0       3.5
          45.0       8.1
          46.0       1.6
          47.0       2.9
          50.0       2.9
          51.0       5.8
          52.0       4.1
          53.0      39.1
          54.0       2.0
          58.0       1.3
          61.0       1.5
          65.0       1.0
          81.0     100.0
          82.0       6.0
          84.0       1.2
          85.0       1.6
         127.0       1.1
         128.0      39.1
         129.0       3.0
         130.0       1.9
    

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C6 H8 O S 0.05 ml : 0.5 ml CDCl3
    furfuryl methyl sulfide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.344 B 6.290 C 6.166 D 3.664 E 2.059

         Hz     ppm     Int.
    

        659.13   7.360    125
        658.25   7.350    121
        657.25   7.339    124
        656.38   7.329    110
        566.19   6.322     66
        564.31   6.301     70
        563.06   6.287    100
        561.19   6.267     92
        554.50   6.192     61
        553.81   6.184    110
        553.00   6.175    101
        552.25   6.167     52
        550.63   6.149     68
        549.88   6.140     61
        549.06   6.131     31
        328.19   3.665    368
        184.44   2.060   1000
    

in CDCl3

  • 圖譜

liquid film

  • 圖譜

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