環(huán)戊硫醇(1679-07-8)質(zhì)譜(MS)

產(chǎn)品名稱:環(huán)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

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

¹H NMR	399.65 MHz
C₅ H₁₀ S	0.05 ml : 0.5 ml CDCl₃
cyclopentanethiol

    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