2-Pentanone(107-87-9) IR1

Product Name2-Pentanone

CAS 107-87-9

Molecular FormulaC5H10O

Molecular Weight86.13

InChIInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3

InChIKey XNLICIUVMPYHGG-UHFFFAOYSA-N

SmilesCC(=O)CCC

Request For Quotation

Mass

MS-NW-0661          
2-pentanone
C5H10O              (Mass of molecular ion:     86)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.8
      26.0       1.3
      27.0      10.5
      28.0       1.3
      29.0       1.9
      38.0       1.2
      39.0       6.3
      41.0      11.9
      42.0       4.0
      43.0     100.0
      44.0       2.3
      58.0      10.3
      71.0      11.0
      86.0      20.2
      87.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
2-pentanone

    Assign.     Shift(ppm)

      A             2.40
      B             2.13
      C             1.60
      D             0.93

     Hz     ppm     Int.

    223.13   2.492     70
    215.94   2.412    160
    208.56   2.329    118
    191.13   2.135    652
    190.63   2.129   1000
    190.19   2.124    553
    155.63   1.738     36
    154.63   1.727     62
    148.69   1.661     43
    147.75   1.650    114
    146.81   1.640     66
    140.81   1.573     82
    139.69   1.560     99
    132.75   1.483     67
     90.00   1.005    112
     89.31   0.998    206
     88.63   0.990    126
     82.44   0.921    413
     81.75   0.913    216
     79.63   0.890     30
     75.56   0.844     68
     74.75   0.835    118
     73.69   0.823     64

in CDCl3