5-Chloro-2-pentanone(5891-21-4) MS

Product Name5-Chloro-2-pentanone

CAS 5891-21-4

Molecular FormulaC5H9ClO

Molecular Weight120.58

InChIInChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

InChIKey XVRIEWDDMODMGA-UHFFFAOYSA-N

SmilesCC(=O)CCCCl

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5-Chloro-2-pentanone(5891-21-4) MS
Mass

MS-NW-1115          
5-chloro-2-pentanone
C5H9ClO             (Mass of molecular ion:    120)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.8
      17.0       1.0
      18.0       5.0
      27.0       4.7
      28.0       1.0
      39.0       5.5
      41.0      14.8
      42.0       3.8
      43.0     100.0
      44.0       2.2
      49.0       2.1
      55.0       1.4
      58.0      29.5
      59.0       1.1
      77.0       4.0
      79.0       1.4
      81.0       1.0
      84.0       2.1
      85.0       3.5
     105.0       8.4
     107.0       2.6
     120.0       3.7
     122.0       1.2
     145.0       2.2

90 MHz in CDCl3

5-Chloro-2-pentanone(5891-21-4) MS

¹H NMR	89.56 MHz
C₅ H₉ Cl O	0.04 ml : 0.5 ml CDCl₃
5-chloro-2-pentanone

    Assign.     Shift(ppm)

      A             3.578
      B             2.636
      C             2.173
      D             2.04

     Hz     ppm     Int.

    327.00   3.652    178
    320.81   3.583    376
    314.50   3.512    226
    236.94   2.646    160
    230.25   2.571    115
    194.63   2.174   1000
    189.13   2.112    146
    188.63   2.107     99
    182.50   2.038    155
    181.81   2.031     89
    181.31   2.025     82
    176.25   1.968     85

in CDCl3