87769-39-9

2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE(87769-39-9) IR1

Product Name2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE

CAS 87769-39-9

Molecular FormulaC8H12O3

Molecular Weight156.18

InChIInChI=1S/C8H12O3/c1-5-6(2)10-8(3,4)11-7(5)9/h1-4H3

InChIKey NZEPEQVPVAXLSY-UHFFFAOYSA-N

SmilesO1C(C)=C(C)C(=O)OC1(C)C

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¹HNMR

IR1

2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE(87769-39-9) IR1
Mass

MS-NW-9446          
2,2,5,6-tetramethyl-4H-1,3-dioxin-4-one
C8H12O3             (Mass of molecular ion:    156)

   Source Temperature: 240 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       8.9
      26.0       2.5
      27.0      10.6
      28.0       6.0
      29.0       2.7
      31.0       2.4
      39.0       6.0
      41.0       4.3
      42.0       4.0
      43.0     100.0
      44.0       3.6
      45.0       1.0
      53.0       2.1
      54.0       2.3
      55.0       5.6
      56.0      29.2
      57.0       2.0
      58.0       7.1
      59.0      17.8
      60.0       1.0
      70.0      60.3
      71.0       3.1
      83.0      33.2
      84.0       1.5
      98.0      57.1
      99.0      13.2
     156.0      18.5
     157.0       2.4

400 MHz in CDCl3

2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE(87769-39-9) IR1

¹H NMR	399.65 MHz
C₈ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
2,2,5,6-tetramethyl-4H-1,3-dioxin-4-one

    Assign.     Shift(ppm)

      A             1.989
      B             1.820
      C             1.651

     Hz     ppm     Int.

    795.41   1.991    461
    794.56   1.989    420
    727.66   1.821    465
    726.81   1.819    418
    660.03   1.652   1000

liquid film

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