Propyl chloroformate(109-61-5) IR1

Product NamePropyl chloroformate

CAS 109-61-5

Molecular FormulaC4H7ClO2

Molecular Weight122.55

InChIInChI=1S/C4H7ClO2/c1-2-3-7-4(5)6/h2-3H2,1H3

InChIKey QQKDTTWZXHEGAQ-UHFFFAOYSA-N

SmilesC(Cl)(OCCC)=O

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Mass

MS-NW-0979          
propyl chloroformate
C4H7ClO2            (Mass of molecular ion:    122)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      26.0       3.6
      27.0      26.8
      28.0       6.1
      29.0      11.7
      30.0       2.2
      31.0       6.5
      35.0       1.5
      36.0       2.5
      37.0       1.0
      38.0       1.7
      39.0       9.0
      40.0       3.6
      41.0      32.1
      42.0     100.0
      43.0      71.8
      44.0       7.2
      57.0       2.8
      59.0       5.6
      63.0      48.6
      65.0      15.7
      81.0       1.0
      93.0      15.3
      95.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₇ Cl O₂	0.02 ml : 0.5 ml CDCl₃
propyl chloroformate

    Assign.     Shift(ppm)

      A             4.284
      B             1.759
      C             0.998

     Hz     ppm     Int.

    390.31   4.359    436
    383.75   4.285    901
    377.13   4.211    480
    162.19   1.811    221
    155.63   1.738    176
    154.63   1.727    265
    147.81   1.651    190
     96.50   1.078    287
     95.88   1.071    480
     88.94   0.994   1000
     88.25   0.986    526
     81.81   0.914    187
     81.19   0.907    287
     80.25   0.897    158

in CDCl3