Methyl isobutyrate(547-63-7) MS

Product NameMethyl isobutyrate

CAS 547-63-7

Molecular FormulaC5H10O2

Molecular Weight102.13

InChIInChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

InChIKey BHIWKHZACMWKOJ-UHFFFAOYSA-N

SmilesC(OC)(=O)C(C)C

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Mass

MS-NW-0010          
methyl isobutyrate
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 200 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV

      15.0      12.2
      17.0       1.0
      18.0       4.5
      26.0       1.8
      27.0      16.1
      28.0       2.7
      29.0       1.9
      31.0       1.9
      33.0       1.4
      38.0       1.1
      39.0       8.6
      40.0       1.7
      41.0      30.0
      42.0      13.5
      43.0     100.0
      44.0       3.5
      45.0       1.4
      55.0       5.8
      59.0      23.1
      60.0       1.0
      61.0       4.8
      70.0       1.2
      71.0      42.0
      72.0       2.1
      74.0       5.1
      87.0      22.3
      88.0       1.0
     102.0      16.3
     103.0       1.1

parameter in CDCl3

¹H NMR	300 MHz
C₅ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
methyl isobutyrate

    Parameter     ppm  Hz

      D(A)         3.669
     
      D(B)         2.557
      D(C)         1.170
       J(B,C)          6.94

     Hz     ppm     Int.

   1100.69   3.669   1000
    781.12   2.604     28
    774.20   2.581     68
    767.23   2.557     92
    760.31   2.534     72
    753.36   2.511     31
    354.46   1.182    994
    347.52   1.158    957

in CDCl3