Propyl cyanoacetate(14447-15-5) MS

Product NamePropyl cyanoacetate

CAS 14447-15-5

Molecular FormulaC6H9NO2

Molecular Weight127.14

InChIInChI=1S/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3

InChIKey NLFIMXLLXGTDME-UHFFFAOYSA-N

SmilesC(OCCC)(=O)CC#N

Request For Quotation

¹HNMR

¹³CNMR

Propyl cyanoacetate(14447-15-5) MS
Mass

MS-IW-9149          
propyl cyanoacetate
C6H9NO2             (Mass of molecular ion:    127)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.7
      18.0       1.0
      26.0       2.5
      27.0      20.5
      28.0       6.3
      29.0       9.9
      30.0       1.2
      31.0      15.0
      38.0       4.1
      39.0      16.8
      40.0      19.1
      41.0      36.0
      42.0      44.4
      43.0      47.9
      44.0       6.2
      45.0       1.5
      57.0       9.9
      58.0       1.2
      59.0       4.4
      60.0       2.0
      67.0       8.6
      68.0     100.0
      69.0       4.0
      86.0      23.3
      87.0       1.4
      98.0       1.1
      99.0       1.8
     112.0       2.6

400 MHz in CDCl3

Propyl cyanoacetate(14447-15-5) MS

¹H NMR	399.65 MHz
C₆ H₉ N O₂	0.05 ml : 0.5 ml CDCl₃
propyl cyanoacetate

    Assign.     Shift(ppm)

      A             4.168
      B             3.515
      C             1.712
      D             0.972

     Hz     ppm     Int.

   1672.61   4.186    308
   1665.89   4.169    544
   1659.18   4.152    297
   1405.03   3.516   1000
   1400.76   3.505     31
   1399.90   3.503     25
    702.39   1.758     45
    694.95   1.739    150
    688.23   1.723    281
    680.79   1.704    280
    674.07   1.687    154
    666.75   1.669     49
    395.87   0.991    487
    388.55   0.973    804
    380.98   0.954    423

in CDCl3