METHYL 2-METHYLBUTYRATE)(53955-81-0) IR2

Product NameMETHYL 2-METHYLBUTYRATE)

CAS 53955-81-0

Molecular FormulaC6H12O2

Molecular Weight116.15828

InChIInChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3

InChIKey OCWLYWIFNDCWRZ-UHFFFAOYSA-N

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

Request For Quotation

Mass

MS-NW-1204          
methyl (+-)-2-methylbutyrate
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0      16.5
      18.0       1.8
      26.0       2.9
      27.0      18.9
      28.0       9.2
      29.0      50.2
      30.0       1.3
      31.0       2.6
      32.0       1.0
      39.0      11.6
      40.0       1.6
      41.0      52.8
      42.0       3.5
      43.0       3.6
      45.0       1.8
      53.0       1.8
      55.0       7.4
      56.0      17.8
      57.0     100.0
      58.0       4.8
      59.0      19.1
      60.0       1.1
      61.0       1.6
      69.0       7.9
      73.0       1.9
      74.0       6.5
      85.0      31.4
      86.0       1.7
      87.0       7.1
      88.0      94.3
      89.0       4.4
     101.0      24.0
     102.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
methyl (+-)-2-methylbutyrate

    Assign.     Shift(ppm)

      A             3.673
      B             2.38
      C          1.97 to 1.22
      D             1.147
      E             0.91

     Hz     ppm     Int.

    328.94   3.673   1000
    217.31   2.427     37
    210.44   2.350     42
    153.00   1.709     31
    145.94   1.630     33
    145.38   1.624     40
    138.25   1.544     54
    136.75   1.527     35
    136.38   1.523     34
    129.69   1.449     44
    105.88   1.183    378
     98.94   1.105    314
     88.50   0.989     77
     87.69   0.980    122
     87.00   0.972     78
     80.31   0.897    205
     73.88   0.825     41
     73.06   0.816     65
     71.94   0.804     37

in CDCl3

CCl4 solution

Liquid film

4880 A,200 M,liquid

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