53475-15-3

3-甲巯基-2-丁酮(53475-15-3)质谱(MS)

产品名称:3-甲巯基-2-丁酮

CAS:53475-15-3

分子式:C5H10OS

分子量: 118.2

InChI:InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3

InChIKey: HFVLNCDRAMUMCC-UHFFFAOYSA-N

Smiles:CC(=O)C(SC)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-5087          
3-methylthio-2-butanone
C5H10OS             (Mass of molecular ion:    118)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.2
      27.0       4.7
      28.0       1.4
      29.0       2.1
      39.0       1.6
      41.0      28.8
      42.0       2.4
      43.0      25.2
      44.0       1.0
      45.0       6.3
      46.0       2.5
      47.0      26.9
      48.0       3.3
      49.0       7.8
      53.0       1.1
      55.0       4.0
      57.0       1.5
      58.0       1.4
      59.0       6.4
      60.0       2.1
      61.0       3.0
      70.0       1.5
      71.0       1.0
      72.0       1.3
      74.0       3.9
      75.0     100.0
      76.0       5.3
      77.0       5.5
     118.0      34.4
     119.0       2.3
     120.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O S	0.05 ml : 0.5 ml CDCl₃
3-methylthio-2-butanone

    Assign.     Shift(ppm)

      A             3.338
      B             2.289
      C             1.960
      D             1.370

     Hz     ppm     Int.

   1344.85   3.366     48
   1337.89   3.348    140
   1330.81   3.330    141
   1323.85   3.313     50
    914.92   2.290    875
    783.33   1.961   1000
    551.03   1.379    650
    544.07   1.362    622

in CDCl3