乙酸癸酯(112-17-4)質(zhì)譜(MS)

產(chǎn)品名稱:乙酸癸酯

CAS:112-17-4

分子式:C12H24O2

分子量: 200.32

InChI:InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

InChIKey: NUPSHWCALHZGOV-UHFFFAOYSA-N

Smiles:C(OCCCCCCCCCC)(=O)C

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-8365          
decyl acetate
C12H24O2            (Mass of molecular ion:    200)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.1
      15.0       2.1
      18.0       1.6
      27.0       7.4
      28.0       1.9
      29.0      14.8
      39.0       6.7
      40.0       1.4
      41.0      38.4
      42.0      22.3
      43.0     100.0
      44.0       3.2
      45.0       1.6
      53.0       2.6
      54.0       6.3
      55.0      65.9
      56.0      67.2
      57.0      33.8
      58.0       4.2
      59.0       1.0
      60.0       1.4
      61.0      41.7
      67.0       7.2
      68.0      15.7
      69.0      56.6
      70.0      68.2
      71.0      14.1
      73.0       7.0
      81.0       2.7
      82.0      18.2
      83.0      47.9
      84.0      35.1
      85.0       8.4
      87.0       1.2
      96.0       5.9
      97.0      31.8
      98.0      21.4
      99.0       2.0
     101.0       1.8
     110.0       2.5
     111.0      18.6
     112.0      24.2
     113.0       2.3
     116.0       5.6
     140.0      15.0
     141.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₄ O₂	0.05 ml : 0.5 ml CDCl₃
decyl acetate

    Assign.     Shift(ppm)

      A             4.052
      B             2.040
      C             1.615
      D             1.31
      E             1.27
      F             0.881

     Hz     ppm     Int.

   1626.46   4.070    137
   1619.75   4.053    284
   1612.92   4.036    149
    815.31   2.041   1000
    654.05   1.637     47
    646.73   1.619     70
    643.19   1.610     26
    639.65   1.601     62
    632.81   1.584     22
    507.08   1.269    435
    359.38   0.900    103
    352.54   0.883    336
    345.58   0.865    132

in CDCl3