1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER(1139-13-5) ¹³C NMR

Product Name1,1-CYCLOHEXANEDICARBOXYLIC ACID DIETHYL ESTER

CAS 1139-13-5

Molecular FormulaC12H20O4

Molecular Weight228.28

InChIInChI=1S/C12H20O4/c1-3-15-10(13)12(11(14)16-4-2)8-6-5-7-9-12/h3-9H2,1-2H3

InChIKey MLHUKQNAQSRVKI-UHFFFAOYSA-N

SmilesC1CC(C(OCC)=O)(C(=O)OCC)CCC1

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¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0950          
1,1-cyclohexanedicarboxylic acid diethyl ester
C12H20O4            (Mass of molecular ion:    228)

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

      26.0       1.2
      27.0      11.7
      28.0       4.0
      29.0      47.2
      30.0       1.2
      31.0       2.4
      39.0       5.9
      40.0       1.8
      41.0      14.4
      42.0       1.6
      43.0      10.2
      44.0       2.6
      45.0       3.5
      47.0       1.1
      53.0       6.8
      54.0       6.8
      55.0      11.5
      56.0       2.6
      57.0       2.1
      60.0       2.3
      61.0       1.7
      65.0       1.1
      66.0       2.2
      67.0      18.0
      68.0       6.4
      69.0       5.8
      73.0       3.8
      77.0       2.2
      79.0       9.7
      80.0      14.4
      81.0     100.0
      82.0      10.4
      83.0       6.6
      85.0       2.3
      86.0       1.0
      87.0       1.1
      88.0       3.6
      94.0       1.6
      95.0       3.9
      97.0       2.1
      99.0       8.6
     101.0       2.2
     108.0      19.0
     109.0      41.3
     110.0      10.7
     111.0       4.1
     112.0       3.5
     113.0       1.5
     115.0       2.4
     125.0       8.4
     126.0       5.8
     127.0      29.5
     128.0      12.3
     129.0       1.4
     133.0       1.0
     136.0      15.6
     137.0       1.6
     140.0       3.5
     141.0       1.6
     145.0       2.6
     153.0       1.1
     154.0      20.4
     155.0      33.1
     156.0      10.4
     157.0       1.1
     160.0      33.5
     161.0       3.5
     173.0      77.1
     174.0       7.0
     182.0       8.7
     183.0      14.8
     184.0       1.7
     186.0       1.5
     228.0       1.8

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