381670-34-4

2-甲戊基甲酸酯(381670-34-4)核磁图(¹HNMR)

产品名称:2-甲戊基甲酸酯

CAS:381670-34-4

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-3-4-7(2)5-9-6-8/h6-7H,3-5H2,1-2H3

InChIKey: KYHHSTLLLQRFHJ-UHFFFAOYSA-N

Smiles:C(OC=O)C(C)CCC

Mass

MS-NW-2214          
2-methylpentyl formate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.1
      18.0       2.2
      27.0      14.6
      28.0       1.8
      29.0      17.4
      31.0      14.2
      39.0      10.9
      40.0       1.9
      41.0      37.8
      42.0      20.4
      43.0     100.0
      44.0       3.3
      45.0       2.3
      47.0       1.0
      53.0       2.3
      54.0       1.2
      55.0      26.6
      56.0      57.3
      57.0       4.1
      58.0       1.7
      59.0       4.2
      60.0       4.3
      67.0       1.1
      69.0      27.8
      70.0      11.0
      71.0      42.5
      72.0       2.3
      84.0      20.0
      85.0       1.8
      87.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
2-methylpentyl formate

    Assign.     Shift(ppm)

      A             8.030
      B     *1      4.055
      C     *1      3.959
      D             1.80
      E             1.30
      F             0.94
      G             0.90

     Hz     ppm     Int.

    724.81   8.094    132
    723.94   8.084    297
    723.50   8.079    302
    722.63   8.069    155
    363.94   4.064    152
    363.06   4.054    157
    361.13   4.033    165
    360.25   4.023    161
    357.94   3.997    164
    357.06   3.987    166
    354.69   3.961    167
    353.88   3.952    164
    125.88   1.406     95
    120.44   1.345    146
    119.13   1.331    154
    118.63   1.325    149
    116.75   1.304     92
    115.31   1.288    157
    113.75   1.271    138
    113.19   1.264    127
    112.06   1.252    114
     87.63   0.979   1000
     85.25   0.952    192
     83.69   0.935    140
     82.81   0.925    116
     81.06   0.906    966
     78.88   0.881    172
     75.25   0.841    113
     74.00   0.827    102

in CDCl3