4423-79-4

2,2-Pentamethylene-1,3-dioxolan-4-one(4423-79-4) MS

Product Name2,2-Pentamethylene-1,3-dioxolan-4-one

CAS 4423-79-4

Molecular FormulaC8H12O3

Molecular Weight156.18

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

InChIKey HBGAMCTZOLJGAS-UHFFFAOYSA-N

SmilesO1C2(CCCCC2)OCC1=O

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¹³CNMR

IR1

2,2-Pentamethylene-1,3-dioxolan-4-one(4423-79-4) MS
Mass

MS-NW-8750          
1,4-dioxaspiro(4.5)decane-2-one
C8H12O3             (Mass of molecular ion:    156)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.3
      27.0      12.3
      28.0       7.6
      29.0       6.4
      31.0       1.6
      39.0      15.8
      40.0       4.0
      41.0      28.2
      42.0      48.8
      43.0      19.6
      44.0       1.6
      45.0       2.3
      51.0       1.6
      52.0       1.0
      53.0       4.0
      54.0      12.1
      55.0     100.0
      56.0      14.6
      57.0       2.1
      67.0       7.0
      68.0       1.9
      69.0      40.9
      70.0      31.0
      71.0       2.5
      72.0       2.6
      79.0       2.3
      80.0      20.3
      81.0       4.3
      83.0      11.9
      84.0       5.6
      85.0      13.5
      97.0       7.4
      98.0      98.9
      99.0       7.6
     100.0       2.8
     111.0       2.2
     112.0       4.7
     113.0      64.7
     114.0       3.9
     126.0       5.3
     127.0       8.3
     128.0       2.1
     156.0      27.1
     157.0       2.9

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