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Back ChemicalBook Home>CAS DataBase List>2550-26-7More Spectrum> Benzylacetone(2550-26-7) 1H NMR

2550-26-7

Benzylacetone(2550-26-7) 1H NMR

Product NameBenzylacetone

CAS2550-26-7

Molecular FormulaC10H12O

Molecular Weight148.2

InChIInChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChIKey AKGGYBADQZYZPD-UHFFFAOYSA-N

SmilesCC(=O)CCC1=CC=CC=C1

  • Benzylacetone(2550-26-7) <sup>1</sup>H NMR
    Mass

    MS-NW-4026          
    4-phenyl-2-butanone
    C10H12O             (Mass of molecular ion:    148)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       3.7
          27.0       5.8
          28.0       1.0
          38.0       1.1
          39.0       7.4
          41.0       2.0
          43.0     100.0
          44.0       2.4
          50.0       4.0
          51.0      11.3
          52.0       2.7
          53.0       1.6
          55.0       3.9
          62.0       1.2
          63.0       4.0
          65.0       9.1
          71.0       1.1
          74.0       1.4
          75.0       1.1
          76.0       1.1
          77.0      16.8
          78.0      11.2
          79.0      12.6
          89.0       2.1
          91.0      60.1
          92.0       6.2
         102.0       1.3
         103.0       9.3
         104.0      10.9
         105.0      80.9
         106.0       9.2
         115.0       3.6
         129.0       2.5
         130.0       1.5
         131.0       1.0
         133.0      13.9
         134.0       1.6
         147.0       3.5
         148.0      72.5
         149.0       8.6
    

90 MHz in CDCl3

  • Benzylacetone(2550-26-7) <sup>1</sup>H NMR

    1H NMR 89.56 MHz
    C10 H12 O 0.04 ml : 0.5 ml CDCl3
    4-phenyl-2-butanone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.41 to 6.99 B 2.87 C 2.75 D 2.11

         Hz     ppm     Int.
    

        655.75   7.322     30
        650.06   7.259     62
        648.88   7.246     52
        646.19   7.216    416
        644.63   7.198    366
        641.56   7.164     72
        639.44   7.140     46
        638.75   7.133     45
        636.75   7.110     36
        265.00   2.959     44
        257.81   2.879    101
        253.06   2.826    194
        250.00   2.792    186
        245.38   2.740    105
        244.81   2.734     93
        238.00   2.658     44
        189.25   2.114   1000
    

in CDCl3

  • Benzylacetone(2550-26-7) <sup>1</sup>H NMR

liquid film

  • Benzylacetone(2550-26-7) <sup>1</sup>H NMR

4880 A,200 M,liquid

  • Benzylacetone(2550-26-7) <sup>1</sup>H NMR

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