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网站主页CAS数据库列表 98-02-2更多图谱糠(基)硫醇(98-02-2)核磁图(1HNMR)

糠(基)硫醇

产品名称 糠(基)硫醇

CAS号98-02-2

分子式C5H6OS

分子量114.17

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  • Mass

    MS-NW-3749          
    (2-furyl)methanethiol
    C5H6OS              (Mass of molecular ion:    114)
    

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

          26.0       1.9
          27.0      13.7
          29.0       2.3
          33.0       1.2
          34.0       1.1
          37.0       1.3
          38.0       2.3
          39.0       4.8
          41.0       1.5
          45.0       9.1
          47.0       1.4
          50.0       3.8
          51.0       7.0
          52.0       5.8
          53.0      45.4
          54.0       2.4
          58.0       1.7
          59.0       1.3
          69.0       1.0
          81.0     100.0
          82.0       6.0
          85.0       2.2
         113.0       1.1
         114.0      21.7
         115.0       1.5
         116.0       1.1
    

90 MHz in CDCl3

parameter neat


  • 1H NMR 89.56 MHz
    C5 H6 O S 0.04 ml : 0.5 ml CDCl3
    (2-furyl)methanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.331 B 6.289 C 6.164 D 3.726 E 1.90 J(A,B)=1.9HZ. J(A,C)=0.9HZ. J(B,C)=3.2HZ. J(D,E)=7.7HZ.

         Hz     ppm     Int.
    

        658.00   7.348    582
        657.13   7.338    601
        656.13   7.327    635
        655.25   7.317    626
        566.13   6.322    322
        564.25   6.301    316
        562.94   6.286    516
        561.06   6.265    506
        559.31   6.246     50
        558.69   6.239     48
        557.88   6.230     46
        555.44   6.202     36
        554.44   6.191    229
        553.63   6.182    553
        552.81   6.173    568
        552.06   6.165    249
        551.19   6.155    163
        550.44   6.147    347
        549.63   6.138    340
        548.81   6.128    154
        338.13   3.776    760
        330.06   3.686    914
        327.31   3.655     42
        177.13   1.978    826
        169.56   1.894   1000
        169.25   1.890    715
        161.69   1.806    688
        160.50   1.793     33
    


  • 1H NMR 300 MHz
    C5 H6 O S neat
    (2-furyl)methanethiol
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.37 D(B) 6.29 D(C) 6.17 D(D) 3.66 D(E) 1.98 J(A,B) 1.91 J(A,C) 0.73 J(A,D) 0.0 J(A,E) 0.0 J(B,C) 3.25 J(B,D) 0.0 J(B,E) 0.0 J(C,D) 0.79 J(C,E) 0.0 J(D,E) 7.4 ABRAHAM,R.J. & BERNSTEIN,H.J. CAN.J.CHEM. 39, 905 (1961)

         Hz     ppm     Int.
    

       2212.33   7.374    513
       2211.62   7.372    543
       2210.41   7.368    556
       2209.76   7.366    530
       1889.67   6.299    396
       1887.76   6.293    420
       1886.45   6.288    494
       1884.53   6.282    466
       1852.92   6.176    431
       1852.21   6.174    438
       1849.69   6.166    371
       1848.99   6.163    368
       1102.09   3.674    962
       1101.38   3.671    952
       1094.68   3.649   1000
       1094.02   3.647    998
        601.37   2.005    422
        594.01   1.980    802
        586.59   1.955    398
    

in CDCl3



liquid film