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5891-21-4

5-氯-2-戊酮(5891-21-4)紅外圖譜(IR1)

產(chǎn)品名稱:5-氯-2-戊酮

CAS:5891-21-4

分子式:C5H9ClO

分子量: 120.58

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

InChIKey: XVRIEWDDMODMGA-UHFFFAOYSA-N

Smiles:CC(=O)CCCCl

  • 圖譜
    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

  • 圖譜

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

  • 圖譜

CCl4 solution

  • 圖譜

liquid film

  • 圖譜

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