4746-97-8

1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8) MS

Product Name1,4-Dioxaspiro[4.5]decan-8-one

CAS 4746-97-8

Molecular FormulaC8H12O3

Molecular Weight156.18

InChIInChI=1S/C8H12O3/c9-7-1-3-8(4-2-7)10-5-6-11-8/h1-6H2

InChIKey VKRKCBWIVLSRBJ-UHFFFAOYSA-N

SmilesO1C2(CCC(=O)CC2)OCC1

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1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8) MS
Mass

MS-IW-4170          
1,4-dioxaspiro(4.5)decan-8-one
C8H12O3             (Mass of molecular ion:    156)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.1
      28.0       5.6
      29.0       1.5
      39.0       1.8
      41.0       2.0
      42.0       2.9
      43.0       3.4
      45.0       1.4
      53.0       1.1
      54.0       1.9
      55.0      13.5
      56.0       9.0
      57.0       2.2
      67.0       2.6
      71.0       1.7
      83.0       2.4
      84.0       4.0
      86.0       4.0
      97.0       2.9
      98.0       1.9
      99.0     100.0
     100.0      29.7
     101.0       2.3
     156.0       3.3

400 MHz in CDCl3

1,4-Dioxaspiro[4.5]decan-8-one(4746-97-8) MS

¹H NMR	399.65 MHz
C₈ H₁₂ O₃	0.036 g : 0.5 ml CDCl₃
1,4-dioxaspiro(4.5)decan-8-one

    Assign.     Shift(ppm)

      A             4.037
      B             2.512
      C             2.019

     Hz     ppm     Int.

   1613.53   4.038   1000
   1011.47   2.531    132
   1004.39   2.514    182
    997.19   2.496    142
    812.87   2.034    152
    811.65   2.031     76
    805.54   2.016    197
    798.58   1.999    120

in CDCl3