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Back ChemicalBook Home>CAS DataBase List>1551-44-6More Spectrum> CYCLOHEXYL BUTYRATE(1551-44-6) Raman

CYCLOHEXYL BUTYRATE(1551-44-6) Raman

Molecular FormulaC10H18O2

Molecular Weight170.25

InChIInChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3

InChIKey VZHUBBUZNIULNM-UHFFFAOYSA-N

SmilesC(OC1CCCCC1)(=O)CCC


  • Mass

    MS-NW-0011          
    cyclohexyl butyrate
    C10H18O2            (Mass of molecular ion:    170)
    

       Source Temperature: 180 °C
       Sample Temperature:  65 °C
       Reservoir, 75 eV
    

          15.0       2.1
          17.0       1.3
          18.0       5.8
          26.0       1.1
          27.0      15.5
          28.0       4.0
          29.0      12.1
          31.0       1.4
          32.0       1.0
          39.0      10.4
          40.0       1.6
          41.0      28.5
          42.0       5.6
          43.0      59.0
          44.0       3.1
          45.0       1.0
          51.0       1.0
          53.0       2.9
          54.0      15.8
          55.0      28.4
          56.0       2.9
          57.0      24.6
          58.0       3.1
          59.0       1.6
          60.0       3.8
          66.0       1.0
          67.0      60.1
          68.0       3.8
          70.0       2.3
          71.0      82.6
          72.0       5.5
          73.0       2.7
          74.0       1.1
          75.0       5.4
          77.0       1.3
          79.0       1.8
          81.0      11.4
          82.0     100.0
          83.0      30.8
          84.0       1.9
          86.0       4.9
          87.0       2.6
          88.0      12.0
          89.0      65.8
          90.0       3.3
          99.0       6.2
         100.0       1.3
         102.0       1.5
         127.0       4.7
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C10 H18 O2 0.04 ml : 0.5 ml CDCl3
    cyclohexyl butyrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.76 B 2.25 C 2.08 to 1.08 D 1.65 E 0.96

         Hz     ppm     Int.
    

        427.63   4.775     64
        210.38   2.350    193
        209.31   2.338    198
        202.81   2.265    409
        202.31   2.259    435
        195.69   2.186    366
        195.00   2.178    358
        175.63   1.962     42
        175.13   1.956     44
        174.69   1.951     43
        173.63   1.939     41
        166.06   1.855    214
        164.13   1.833    187
        159.44   1.781    286
        159.31   1.779    286
        158.56   1.771    333
        155.81   1.740    221
        152.63   1.705    328
        151.69   1.694    423
        144.69   1.616    338
        143.94   1.608    334
        143.44   1.602    351
        140.25   1.566    188
        138.06   1.542    252
        136.88   1.529    341
        134.69   1.504    202
        133.56   1.492    215
        131.75   1.472    240
        131.38   1.467    241
        129.88   1.451    257
        125.31   1.400    348
        122.81   1.372    282
        120.13   1.342    201
        119.63   1.336    202
        117.94   1.317    216
        117.44   1.312    219
        116.00   1.296    237
        111.25   1.243     86
        108.06   1.207     56
        107.56   1.201     50
        105.88   1.183     41
        104.94   1.172     44
        104.25   1.165     42
        103.69   1.158     37
         97.38   1.088     35
         96.75   1.081     32
         91.69   1.024    514
         89.56   1.000     44
         88.81   0.992     39
         88.19   0.985     37
         84.81   0.947   1000
         81.94   0.915     34
         78.00   0.871    212
         77.25   0.863    284
         76.25   0.852    130
    

in CDCl3



liquid film



4880 A,200 M,liquid



CYCLOHEXYL BUTYRATE(1551-44-6) Raman Atlas of Related Products

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