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Back ChemicalBook Home>CAS DataBase List>505-10-2More Spectrum> 3-Methylthiopropanol(505-10-2) 13C NMR

505-10-2

3-Methylthiopropanol(505-10-2) 13C NMR

Molecular FormulaC4H10OS

Molecular Weight106.19

InChIInChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3

InChIKey CZUGFKJYCPYHHV-UHFFFAOYSA-N

SmilesC(O)CCSC

  • 3-Methylthiopropanol(505-10-2) <sup>13</sup>C NMR
    Mass

    MS-NW-2958          
    3-methylthio-1-propanol
    C4H10OS             (Mass of molecular ion:    106)
    

       Source Temperature: 270 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.7
          18.0       2.1
          26.0       2.6
          27.0      19.6
          28.0       5.7
          29.0      10.4
          30.0      13.3
          31.0      44.5
          34.0       1.0
          35.0      12.7
          39.0       6.5
          40.0       4.2
          41.0      30.0
          42.0       2.3
          43.0       3.4
          44.0       1.8
          45.0      20.8
          46.0      14.6
          47.0      35.3
          48.0      33.0
          49.0      38.3
          50.0       1.9
          51.0       1.6
          55.0       1.4
          57.0      57.8
          58.0      68.9
          59.0      23.7
          60.0       4.6
          61.0      75.2
          62.0      10.4
          63.0       4.3
          72.0       1.3
          73.0      27.5
          74.0       1.8
          75.0      15.9
          76.0       1.8
          77.0       1.4
          87.0       1.2
          88.0       8.7
          91.0       1.1
          97.0       1.0
         106.0     100.0
         107.0       5.3
         108.0       4.8
    

90 MHz in CDCl3

  • 3-Methylthiopropanol(505-10-2) <sup>13</sup>C NMR

    1H NMR 89.56 MHz
    C4 H10 O S 0.04 ml : 0.5 ml CDCl3
    3-methylthio-1-propanol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.708 B 3.05 C 2.59 D 2.110 E 1.83

         Hz     ppm     Int.
    

        338.56   3.781    130
        332.38   3.712    275
        326.25   3.643    153
        272.88   3.047    414
        240.44   2.685     71
        239.75   2.677     68
        233.19   2.604    163
        233.06   2.603    163
        226.13   2.525    121
        189.00   2.111   1000
        178.06   1.989     37
        177.25   1.980     36
        171.38   1.914     87
        170.25   1.901     60
        165.13   1.844     90
        164.44   1.837    101
        157.88   1.763     69
        151.69   1.694     22
        150.75   1.684     21
    

in CDCl3

  • 3-Methylthiopropanol(505-10-2) <sup>13</sup>C NMR

liquid film

  • 3-Methylthiopropanol(505-10-2) <sup>13</sup>C NMR

  • 3-Methylthiopropanol(505-10-2) <sup>13</sup>C NMR

3-Methylthiopropanol(505-10-2) 13C NMR Atlas of Related Products

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