5682-83-7

2-Benzylidenecyclohexanone(5682-83-7) IR1

Product Name2-Benzylidenecyclohexanone

CAS 5682-83-7

Molecular FormulaC13H14O

Molecular Weight186.25

InChIInChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2

InChIKey VCDPHYIZVFJQCD-UHFFFAOYSA-N

SmilesC1(=O)CCCCC1=CC1=CC=CC=C1

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IR1

IR2

IR3

2-Benzylidenecyclohexanone(5682-83-7) IR1
Mass

MS-NW-2583          
2-benzylidenecyclohexanone
C13H14O             (Mass of molecular ion:    186)

   Source Temperature: 300 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      17.0       2.6
      18.0      12.1
      27.0       4.9
      28.0       1.7
      29.0       1.7
      38.0       1.1
      39.0       8.8
      40.0       1.1
      41.0       5.3
      42.0       3.3
      43.0       1.2
      44.0       1.6
      50.0       4.1
      51.0       9.4
      52.0       2.9
      53.0       1.9
      55.0       4.2
      58.0       1.5
      62.0       1.7
      63.0       5.9
      64.0       2.8
      65.0       5.9
      66.0       7.9
      67.0      39.5
      68.0       2.7
      74.0       2.0
      75.0       2.5
      76.0       3.6
      77.0      13.7
      78.0       4.6
      79.0       5.8
      80.0       8.1
      81.0       2.2
      87.0       1.1
      89.0       4.7
      90.0       1.6
      91.0      20.8
      92.0       3.8
      96.0       1.0
     102.0      11.5
     103.0       3.8
     104.0       3.8
     105.0      11.7
     106.0       2.5
     114.0       1.0
     115.0      39.7
     116.0       9.8
     117.0      31.2
     118.0       4.2
     122.0       4.1
     127.0       6.4
     128.0      19.2
     129.0      38.7
     130.0      26.8
     131.0       4.0
     141.0       3.9
     142.0       2.6
     143.0       9.2
     144.0       1.8
     145.0       1.7
     153.0       1.0
     155.0       1.4
     156.0       1.0
     157.0       7.2
     158.0      10.4
     159.0       1.5
     167.0       1.0
     183.0       1.3
     184.0       2.1
     185.0     100.0
     186.0      80.7
     187.0      11.0
     188.0       1.1
     201.0       4.4
     202.0       4.2

KBr disc