DL-Pantolactone(79-50-5) MS

Product NameDL-Pantolactone

CAS 79-50-5

Molecular FormulaC6H10O3

Molecular Weight130.14

InChIInChI=1S/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3

InChIKey SERHXTVXHNVDKA-UHFFFAOYSA-N

SmilesO1CC(C)(C)C(O)C1=O

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Mass

MS-NW-8775          
DL-pantolactone
C6H10O3             (Mass of molecular ion:    130)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.4
      26.0       1.0
      27.0      13.3
      28.0       4.0
      29.0      15.3
      30.0       3.7
      31.0       5.9
      38.0       1.3
      39.0      12.3
      40.0       2.5
      41.0      26.8
      42.0       3.3
      43.0      40.9
      44.0       4.0
      45.0       5.6
      53.0       7.5
      54.0       1.4
      55.0      12.7
      56.0       8.2
      57.0      21.7
      58.0       5.5
      67.0       3.2
      68.0       7.6
      69.0       2.6
      71.0     100.0
      72.0      10.1
      73.0       6.4
      85.0       1.7
      86.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₀ O₃	0.046 g : 0.5 ml CDCl₃
DL-pantolactone

    Assign.     Shift(ppm)

      A             4.166
      B     *1      4.01
      C     *1      3.97
      D             3.62
      E     *2      1.225
      F     *2      1.082

     Hz     ppm     Int.

    373.06   4.166    332
    367.25   4.101     48
    358.25   4.001    373
    356.44   3.980    304
    347.25   3.878     32
    324.44   3.623     26
    109.75   1.226   1000
     96.94   1.083    898

in CDCl3