CYCLOHEXYL ISOVALERATE(7774-44-9) ¹³C NMR

Product NameCYCLOHEXYL ISOVALERATE

CAS 7774-44-9

Molecular FormulaC11H20O2

Molecular Weight184.28

InChIInChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N

SmilesC(OC1CCCCC1)(=O)CC(C)C

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Mass

MS-NW-0032          
cyclohexyl isovalerate
C11H20O2            (Mass of molecular ion:    184)

   Source Temperature: 210 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       1.3
      27.0      10.6
      28.0       8.1
      29.0      15.7
      32.0       2.0
      39.0      12.3
      40.0       2.1
      41.0      42.3
      42.0       5.4
      43.0      16.4
      44.0       2.1
      45.0       1.4
      53.0       3.7
      54.0      17.9
      55.0      42.1
      56.0       5.4
      57.0      75.9
      58.0       3.5
      59.0       3.5
      60.0      19.1
      61.0       7.2
      66.0       1.0
      67.0      62.5
      68.0       3.5
      69.0       2.8
      71.0       5.4
      72.0       1.2
      79.0       1.8
      81.0      10.7
      82.0     100.0
      83.0      47.6
      84.0       3.3
      85.0      89.9
      86.0       5.3
      87.0      11.5
      89.0       5.1
      99.0       6.8
     100.0       5.1
     101.0       1.9
     102.0      22.4
     103.0      96.2
     104.0       5.5
     127.0       2.0
     141.0       4.1
     142.0       1.4