癸酸甲酯(110-42-9)核磁圖(¹³CNMR)

產(chǎn)品名稱:癸酸甲酯

CAS:110-42-9

分子式:C11H22O2

分子量: 186.29

InChI:InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3

InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCCCCCC

Mass

MS-NW-0722          
methyl decanoate
C11H22O2            (Mass of molecular ion:    186)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       5.1
      27.0      11.7
      28.0       3.0
      29.0      17.5
      39.0       8.5
      40.0       1.6
      41.0      31.4
      42.0      15.4
      43.0      36.8
      44.0       1.2
      45.0       1.2
      53.0       1.9
      54.0       1.5
      55.0      17.1
      56.0      16.7
      57.0      20.2
      59.0       6.0
      67.0       1.6
      68.0       1.3
      69.0       9.7
      70.0       4.9
      71.0       8.8
      73.0       1.7
      74.0     100.0
      75.0      10.3
      78.0       2.8
      81.0       1.2
      83.0       4.1
      84.0       4.0
      85.0       3.3
      86.0       1.7
      87.0      46.5
      88.0       4.7
      97.0       2.1
      98.0       2.7
     101.0       5.8
     112.0       1.1
     115.0       1.5
     129.0       3.9
     143.0      12.9
     144.0       1.3
     155.0       8.2
     156.0       1.0
     157.0       2.2
     186.0       4.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₂₂ O₂	0.04 ml : 0.5 ml CDCl₃
methyl decanoate

    Assign.     Shift(ppm)

      A             3.662
      B             2.29
      C             1.61
      D             1.27
      E             0.88

     Hz     ppm     Int.

    327.94   3.662   1000
    214.00   2.390     37
    212.88   2.377     36
    206.38   2.305    103
    198.75   2.220     87
    152.56   1.704     34
    152.13   1.699     35
    145.50   1.625     34
    144.88   1.618     35
    143.88   1.607     34
    143.69   1.605     34
    125.50   1.402     33
    125.13   1.398     34
    121.88   1.361     56
    113.75   1.271    603
     83.88   0.937     57
     81.81   0.914     47
     81.19   0.907     47
     78.63   0.878    175
     72.63   0.811     37

in CDCl3