4971-56-6

Tetronic acid(4971-56-6) MS

Product NameTetronic acid

CAS 4971-56-6

Molecular FormulaC4H4O3

Molecular Weight100.07

InChIInChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2

InChIKey JCGNDDUYTRNOFT-UHFFFAOYSA-N

SmilesO1CC(=O)CC1=O

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Tetronic acid(4971-56-6) MS
Mass

MS-NW-7982          
tetrahydrofuran-2,4-dione
C4H4O3              (Mass of molecular ion:    100)

   Source Temperature: 210 °C
   Sample Temperature: 220 °C
   Direct, 75 eV

      13.0       1.5
      14.0       4.9
      15.0       2.8
      18.0       1.4
      26.0       2.6
      27.0       1.5
      28.0       3.1
      29.0       8.7
      30.0       3.0
      41.0       4.2
      42.0     100.0
      43.0      24.8
      69.0       2.3
      72.0       8.0
     100.0      35.2
     101.0       1.8

400 MHz in DMSO-d6

Tetronic acid(4971-56-6) MS

¹H NMR	399.65 MHz
C₄ H₄ O₃	0.035 g : 0.5 ml DMSO-d₆
tetrahydrofuran-2,4-dione

    Assign.     Shift(ppm)

      A            12.6
      B             4.952
      C             4.655

     Hz     ppm     Int.

   1982.56   4.961     22
   1980.42   4.956    329
   1979.36   4.953    642
   1978.07   4.950    298
   1861.19   4.658   1000
   1860.12   4.655    993

in DMSO-d6