METHYL 2-METHYLPENTANOATE(2177-77-7) ¹³C NMR

Product NameMETHYL 2-METHYLPENTANOATE

CAS 2177-77-7

Molecular FormulaC7H14O2

Molecular Weight130.18

InChIInChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3

InChIKey ZTULNMNIVVMLIU-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3567          
methyl 2-methylvalerate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       4.8
      27.0       9.7
      28.0       3.6
      29.0      10.6
      31.0       1.0
      39.0       7.5
      40.0       1.3
      41.0      16.5
      42.0       6.6
      43.0      55.8
      44.0       2.0
      45.0       2.0
      53.0       1.4
      55.0      12.8
      56.0       7.7
      57.0      20.4
      58.0       1.2
      59.0      13.7
      69.0       5.3
      70.0       4.9
      71.0      32.0
      72.0       1.8
      73.0       2.1
      74.0       1.0
      83.0       1.6
      87.0      10.9
      88.0     100.0
      89.0       5.3
      99.0      16.6
     100.0       1.1
     101.0      18.9
     102.0       2.1
     115.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
methyl 2-methylvalerate

    Assign.     Shift(ppm)

      A             3.667
      B             2.456
      C     *1      1.642
      D     *1      1.39
      E             1.31
      F             1.142
      G             0.905

     Hz     ppm     Int.

   1465.70   3.668   1000
    992.55   2.484     55
    985.47   2.466     89
    978.52   2.449     90
    971.68   2.432     60
    669.31   1.675     34
    666.50   1.668     30
    662.60   1.658     46
    661.74   1.656     42
    660.28   1.653     44
    655.52   1.641     62
    654.91   1.639     60
    654.30   1.638     61
    652.59   1.633     45
    647.46   1.621     74
    646.85   1.619     54
    640.14   1.602     38
    573.97   1.437     32
    567.63   1.421     66
    564.58   1.413     47
    561.40   1.405     44
    558.23   1.397     95
    552.00   1.382     72
    550.78   1.379     46
    545.53   1.366     61
    544.31   1.362     53
    541.38   1.355     42
    539.67   1.351     54
    536.74   1.344     79
    534.91   1.339     84
    532.23   1.332     37
    531.62   1.331     36
    529.54   1.326     96
    528.44   1.323    146
    525.88   1.316     30
    524.41   1.313     61
    522.22   1.307     80
    521.24   1.305    133
    518.80   1.299     51
    517.94   1.296     49
    516.60   1.293     30
    515.01   1.289     51
    514.65   1.288     51
    514.04   1.287     53
    511.84   1.281     49
    460.08   1.152    677
    457.64   1.146     55
    453.13   1.134    654
    368.77   0.923    334
    365.72   0.916     31
    361.57   0.905    554
    354.25   0.887    279

in CDCl3