2-甲基丁基乙酸酯(624-41-9)核磁圖(¹HNMR)

產(chǎn)品名稱(chēng):2-甲基丁基乙酸酯

CAS:624-41-9

分子式:C7H14O2

分子量: 130.18

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

InChIKey: XHIUFYZDQBSEMF-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9411          
2-methylbutyl acetate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      15.0       2.9
      27.0       4.3
      28.0       1.3
      29.0       8.2
      31.0       1.1
      39.0       3.5
      41.0      10.2
      42.0       8.0
      43.0     100.0
      44.0       2.5
      45.0       2.2
      55.0      16.4
      56.0       3.8
      57.0       6.2
      61.0       3.3
      69.0       1.4
      70.0      34.3
      71.0       2.9
      72.0       5.3
      73.0      15.7
      74.0       5.4
      85.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₄ O₂	0.05 ml : 0.5 ml CDCl₃
2-methylbutyl acetate

    Assign.     Shift(ppm)

      A     *1      3.952
      B     *1      3.868
      C             2.050
      D             1.703
      E     *2      1.437
      F     *2      1.189
      G             0.92
      J             0.91
     
     J(A,B)=-10.7HZ
     J(A,D)=6.1HZ
     J(B,D)=6.8HZ
     J(E,F)=-13.7HZ
     J(F,J)=J(E,J)=7.5HZ
     J(D,F)=7.7HZ
     J(D,E)=5.6HZ

     Hz     ppm     Int.

   1589.36   3.977     74
   1583.25   3.962     76
   1578.61   3.950    131
   1572.51   3.935    134
   1553.22   3.887    132
   1546.39   3.870    133
   1542.48   3.860     78
   1535.77   3.843     78
    819.21   2.050   1000
    684.81   1.714     43
    678.10   1.697     46
    671.88   1.682     34
    588.75   1.474     33
    583.01   1.459     39
    581.18   1.455     37
    575.32   1.440     60
    569.58   1.426     40
    567.63   1.421     50
    562.01   1.407     40
    489.01   1.224     46
    481.45   1.205     66
    475.34   1.190     42
    473.88   1.186     47
    467.90   1.171     52
    460.33   1.152     34
    371.95   0.931    744
    366.70   0.918    132
    365.23   0.914    605
    364.50   0.913    745
    357.18   0.894    258

in CDCl3