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1679-07-8

环戊硫醇(1679-07-8)核磁图(13CNMR)

产品名称:环戊硫醇

CAS:1679-07-8

分子式:C5H10S

分子量: 102.2

InChI:InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2

InChIKey: WVDYBOADDMMFIY-UHFFFAOYSA-N

Smiles:C1(S)CCCC1

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    Mass

    MS-NW-4007          
    cyclopentanethiol
    C5H10S              (Mass of molecular ion:    102)
    

       Source Temperature: 290 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       8.4
          28.0       2.0
          29.0       2.5
          37.0       1.0
          38.0       2.2
          39.0      19.5
          40.0       4.6
          41.0      69.5
          42.0       4.3
          43.0       1.8
          45.0      11.7
          46.0       1.6
          47.0       4.9
          51.0       1.1
          53.0       6.3
          55.0       3.4
          58.0       2.6
          59.0       6.7
          60.0      23.6
          61.0       3.4
          62.0       1.5
          65.0       2.6
          66.0       1.6
          67.0      35.7
          68.0      35.8
          69.0     100.0
          70.0       5.5
          71.0       1.6
          73.0      11.5
          74.0       6.0
          87.0       1.5
         102.0      46.3
         103.0       3.0
         104.0       2.2
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C5 H10 S 0.05 ml : 0.5 ml CDCl3
    cyclopentanethiol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.194 B *1 2.04 C *2 1.79 D 1.62 E *1 1.59 F *2 1.51 ASSIGNED BY H-H COSY.

         Hz     ppm     Int.
    

       1280.52   3.205    233
       1274.17   3.189    233
       1273.68   3.187    222
        820.19   2.053    262
        815.31   2.041    213
        814.09   2.038    219
        813.60   2.036    229
        808.47   2.023    212
        717.77   1.796    303
        715.82   1.792    239
        714.60   1.789    250
        651.12   1.630   1000
        645.26   1.615    991
        636.96   1.594    213
        634.89   1.589    301
        633.79   1.586    233
        631.47   1.581    231
        630.25   1.578    308
        606.32   1.518    218
        604.49   1.513    224
        599.37   1.500    225
    

in CDCl3

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liquid film

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