硫化環(huán)戊烷(1613-51-0)質(zhì)譜(MS)

產(chǎn)品名稱:硫化環(huán)戊烷

CAS:1613-51-0

分子式:C5H10S

分子量: 102.2

InChI:InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2

InChIKey: YPWFISCTZQNZAU-UHFFFAOYSA-N

Smiles:C1SCCCC1

Mass

MS-NW-4932          
thiane
C5H10S              (Mass of molecular ion:    102)

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

      15.0       2.0
      26.0       3.5
      27.0      22.8
      28.0       5.7
      29.0      15.0
      34.0       1.2
      35.0       3.6
      37.0       1.1
      38.0       2.2
      39.0      24.7
      40.0       6.5
      41.0      51.4
      42.0       5.7
      43.0       1.5
      44.0       2.0
      45.0      28.5
      46.0      37.5
      47.0      22.2
      48.0       2.7
      49.0       1.4
      50.0       1.8
      51.0       1.3
      53.0      13.0
      54.0      12.7
      55.0      40.4
      56.0      15.0
      57.0       1.3
      58.0       4.7
      59.0      17.6
      60.0      42.4
      61.0      60.7
      62.0       3.7
      63.0       2.8
      65.0       1.7
      66.0       1.5
      67.0      46.8
      68.0      77.7
      69.0      17.4
      70.0       1.0
      71.0       2.0
      72.0       1.0
      73.0       9.6
      74.0      19.4
      75.0       1.3
      76.0       1.0
      85.0       1.7
      87.0      87.0
      88.0       4.8
      89.0       4.4
     101.0       8.3
     102.0     100.0
     103.0       6.9
     104.0       5.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ S	0.04 ml : 0.5 ml CDCl₃
thiane

    Assign.     Shift(ppm)

      A             2.57
      B          1.82 to 1.60

     Hz     ppm     Int.

    236.88   2.645    720
    232.88   2.601    965
    227.25   2.538   1000
    173.06   1.933    269
    167.69   1.873    585
    163.00   1.821    964
    151.88   1.696    780
    145.13   1.621    508
    137.00   1.530    311

in CDCl3