1-PHENYL-2-BUTANONE(1007-32-5) MS

Product Name1-PHENYL-2-BUTANONE

CAS 1007-32-5

Molecular FormulaC10H12O

Molecular Weight148.2

InChIInChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey GKDLTXYXODKDEA-UHFFFAOYSA-N

SmilesC(C1=CC=CC=C1)C(=O)CC

Request For Quotation

Mass

MS-NW-5674          
1-phenyl-2-butanone
C10H12O             (Mass of molecular ion:    148)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       3.5
      29.0      33.3
      39.0       5.5
      41.0       1.6
      45.5       1.0
      50.0       1.2
      51.0       3.0
      57.0     100.0
      58.0       3.5
      62.0       1.0
      63.0       3.0
      64.0       1.0
      65.0      10.2
      77.0       1.0
      89.0       2.5
      90.0       1.6
      91.0      37.2
      92.0       8.6
     148.0      11.7
     149.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₂ O	0.04 ml : 0.5 ml CDCl₃
1-phenyl-2-butanone

    Assign.     Shift(ppm)

      A          7.48 to 7.06
      B             3.669
      C             2.451
      D             1.020

     Hz     ppm     Int.

    659.25   7.361     53
    658.56   7.354     45
    657.13   7.338     51
    655.44   7.319     65
    654.44   7.308    117
    654.13   7.304    117
    652.63   7.288    222
    651.06   7.270    436
    650.63   7.265    525
    649.88   7.257    420
    647.94   7.235    513
    646.19   7.216    141
    643.56   7.186     95
    643.06   7.181     84
    641.19   7.160     37
    640.81   7.156     36
    639.44   7.140     51
    639.13   7.137     50
    638.63   7.131     44
    328.63   3.670    735
    231.25   2.583     76
    223.75   2.499    284
    216.44   2.417    317
    209.56   2.340    112
     98.19   1.097    440
     91.13   1.018   1000
     88.75   0.991     30
     83.69   0.935    338

in CDCl3