4-BUTYROTHIOLACTONE(1003-10-7) MS

Product Name4-BUTYROTHIOLACTONE

CAS 1003-10-7

Molecular FormulaC4H6OS

Molecular Weight102.15

InChIInChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2

InChIKey KMSNYNIWEORQDJ-UHFFFAOYSA-N

SmilesC1(=O)SCCC1

Request For Quotation

4-BUTYROTHIOLACTONE(1003-10-7) MS
Mass

MS-NW-6440          
4,5-dihydro-2(3H)-thiophenone
C4H6OS              (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      14.0       1.2
      15.0       1.2
      26.0       3.2
      27.0      13.1
      28.0       6.8
      29.0       1.3
      32.0       1.4
      37.0       2.0
      38.0       2.6
      39.0      13.6
      40.0       7.3
      41.0      39.4
      42.0      50.2
      43.0       2.0
      44.0       1.6
      45.0      18.1
      46.0      19.8
      47.0       4.0
      48.0       1.2
      55.0      71.2
      56.0       4.1
      57.0       1.6
      58.0       3.3
      59.0       7.4
      60.0       6.1
      69.0       1.2
      71.0       1.3
      73.0       1.9
      74.0       1.5
     102.0     100.0
     103.0       5.5
     104.0       5.0

400 MHz in CDCl3

4-BUTYROTHIOLACTONE(1003-10-7) MS

¹H NMR	399.65 MHz
C₄ H₆ O S	0.05 ml : 0.5 ml CDCl₃
4,5-dihydro-2(3H)-thiophenone

    Assign.     Shift(ppm)

      A             3.421
      B             2.510
      C             2.283

     Hz     ppm     Int.

   1373.54   3.437    639
   1367.19   3.421   1000
   1360.60   3.405    630
   1011.84   2.532    392
   1011.23   2.531    379
   1004.52   2.514    736
   1004.03   2.513    767
    997.07   2.495    535
    994.26   2.488     58
    926.76   2.319    148
    926.27   2.318    150
    919.68   2.302    404
    913.09   2.285    510
    905.88   2.267    330
    905.15   2.265    249
    901.37   2.256     34
    900.76   2.254     36
    899.17   2.250    107
    898.56   2.249    109

in CDCl3