141-75-3

Butyryl chloride(141-75-3) MS

Product NameButyryl chloride

CAS 141-75-3

Molecular FormulaC4H7ClO

Molecular Weight106.55

InChIInChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3

InChIKey DVECBJCOGJRVPX-UHFFFAOYSA-N

SmilesC(Cl)(=O)CCC

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Butyryl chloride(141-75-3) MS
Mass

MS-NW-2639          
butyryl chloride
C4H7ClO             (Mass of molecular ion:    106)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       2.1
      15.0       4.1
      26.0       6.9
      27.0      55.0
      28.0       7.2
      29.0       8.5
      35.0       1.2
      36.0       5.6
      37.0       2.8
      38.0       4.3
      39.0      21.8
      40.0       3.8
      41.0      52.4
      42.0      15.5
      43.0     100.0
      44.0       3.4
      49.0       1.3
      55.0      10.9
      63.0       6.4
      65.0       2.1
      70.0       7.4
      71.0      89.7
      72.0       4.3
      78.0      20.4
      80.0       6.7
      91.0       4.3
      93.0       1.2

90 MHz in CDCl3

Butyryl chloride(141-75-3) MS

¹H NMR	89.56 MHz
C₄ H₇ Cl O	0.05 ml : 0.5 ml CDCl₃
butyryl chloride

    Assign.     Shift(ppm)

      A             2.87
      B             1.74
      C             1.00

     Hz     ppm     Int.

    264.81   2.957    287
    264.31   2.952    286
    257.75   2.878    572
    257.25   2.873    634
    250.56   2.798    389
    250.19   2.794    382
    174.88   1.953     31
    168.50   1.882     74
    167.44   1.870    173
    160.44   1.792    267
    159.75   1.784    180
    153.69   1.717    184
    152.69   1.705    260
    147.69   1.650     35
    146.81   1.640     83
    145.75   1.628    196
    139.31   1.556     43
    138.63   1.548     45
     96.81   1.081    256
     96.13   1.074    490
     95.50   1.067    318
     89.19   0.996   1000
     88.50   0.989    557
     82.25   0.919    172
     81.44   0.910    313
     80.50   0.899    170

in CDCl3