Isobutyraldehyde(78-84-2) ¹³C NMR

Product NameIsobutyraldehyde

CAS 78-84-2

Molecular FormulaC4H8O

Molecular Weight72.11

InChIInChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChIKey AMIMRNSIRUDHCM-UHFFFAOYSA-N

SmilesC(=O)C(C)C

Request For Quotation

Mass

MS-IW-3442          
isobutyraldehyde
C4H8O               (Mass of molecular ion:     72)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.4
      26.0       5.6
      27.0      54.9
      28.0      13.1
      29.0      31.5
      31.0       1.5
      37.0       3.4
      38.0       5.7
      39.0      28.7
      40.0       3.9
      41.0      86.7
      42.0      14.0
      43.0     100.0
      44.0       7.4
      45.0       1.1
      50.0       1.0
      53.0       1.5
      55.0       3.3
      56.0       1.8
      57.0       6.9
      71.0       4.4
      72.0      92.3
      73.0       5.9
      83.0       2.5
      98.0       1.7

parameter neat

¹H NMR	300 MHz
C₄ H₈ O	neat
isobutyraldehyde

    Parameter     ppm  Hz

      D(A)         2.39
      D(B)         1.06
      D(C)         9.57
       J(A,B)          7.0
       J(A,C)          1.1
       J(B,C)          0.0
     
     RANFT,J. ANN.PHYS. 10, 1 (1962)

     Hz     ppm     Int.

   2871.54   9.572    186
   2870.52   9.568    186
    731.75   2.439     16
    730.65   2.435     15
    724.66   2.416     39
    723.63   2.412     36
    717.65   2.392     54
    716.62   2.389     51
    710.71   2.369     42
    709.69   2.366     41
    703.70   2.346     18
    702.67   2.342     18
    321.54   1.072   1000
    314.52   1.048    953

in CDCl3