4091-39-8

3-Chloro-2-butanone(4091-39-8) MS

Product Name3-Chloro-2-butanone

CAS 4091-39-8

Molecular FormulaC4H7ClO

Molecular Weight106.55

InChIInChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3

InChIKey OIMRLHCSLQUXLL-UHFFFAOYSA-N

SmilesCC(=O)C(Cl)C

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3-Chloro-2-butanone(4091-39-8) MS
Mass

MS-NW-4352          
3-chloro-2-butanone
C4H7ClO             (Mass of molecular ion:    106)

   Source Temperature: 220 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.8
      26.0       2.2
      27.0       8.8
      29.0       1.2
      39.0       1.2
      41.0       1.3
      42.0       3.4
      43.0     100.0
      44.0       2.3
      55.0       1.1
      57.0       1.3
      63.0       3.3
      65.0       1.0
     106.0       5.8
     108.0       1.9

90 MHz in CDCl3

3-Chloro-2-butanone(4091-39-8) MS

¹H NMR	89.56 MHz
C₄ H₇ Cl O	0.02 ml : 0.5 ml CDCl₃
3-chloro-2-butanone

    Assign.     Shift(ppm)

      A             4.325
      B             2.333
      C             1.608

     Hz     ppm     Int.

    399.25   4.458     35
    392.31   4.381    101
    385.44   4.304    109
    378.63   4.228     42
    208.25   2.326   1000
    205.25   2.292     37
    146.75   1.639    546
    144.56   1.615     41
    143.94   1.608     38
    139.88   1.562    513

in CDCl3