3-METHYLTHIOPROPIONYL CHLORIDE(7031-23-4) ¹³C NMR

Product Name3-METHYLTHIOPROPIONYL CHLORIDE

CAS 7031-23-4

Molecular FormulaC4H7ClOS

Molecular Weight138.62

InChIInChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3

InChIKey NRHMXMBVLXSSAX-UHFFFAOYSA-N

SmilesC(Cl)(=O)CCSC

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9175          
3-(methylthio)propionyl chloride
C4H7ClOS            (Mass of molecular ion:    138)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      25.0       1.4
      26.0       8.4
      27.0      46.6
      28.0       9.2
      29.0       1.7
      32.0       1.3
      35.0       8.8
      36.0      11.8
      37.0       1.2
      38.0       4.1
      39.0       1.4
      41.0      10.9
      42.0       1.5
      44.0       2.2
      45.0      23.2
      46.0      11.0
      47.0      25.0
      48.0       8.1
      49.0       5.6
      51.5       1.2
      53.0       1.5
      54.0       1.2
      55.0     100.0
      56.0       4.4
      57.0       2.8
      58.0       6.1
      59.0      11.1
      60.0       2.7
      61.0      55.0
      62.0       2.1
      63.0       7.1
      65.0       1.6
      73.0       1.5
      74.0      11.7
      75.0      32.3
      76.0       2.1
      77.0       1.5
      82.0       1.6
      91.0       2.0
      95.0       1.6
     101.0       1.0
     102.0      33.8
     103.0       8.3
     104.0       2.0
     138.0      22.8
     139.0       1.2
     140.0       8.3
     150.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ Cl O S	0.05 ml : 0.5 ml CDCl₃
3-(methylthio)propionyl chloride

    Assign.     Shift(ppm)

      A             3.210
      B             2.817
      C             2.155

     Hz     ppm     Int.

   1289.92   3.228    556
   1286.25   3.219     59
   1282.84   3.210   1000
   1278.69   3.200     53
   1275.63   3.192    641
   1133.06   2.836    138
   1126.22   2.819    205
   1119.51   2.802    117
    861.21   2.155    521

in CDCl3