111-63-7

硬脂酸酯乙烯基(111-63-7)质谱(MS)

产品名称:硬脂酸酯乙烯基

CAS:111-63-7

分子式:C20H38O2

分子量: 310.51

InChI:InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h4H,2-3,5-19H2,1H3

InChIKey: AFSIMBWBBOJPJG-UHFFFAOYSA-N

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

Mass

MS-NW-1932          
vinyl stearate
C20H38O2            (Mass of molecular ion:    310)

   Source Temperature: 150 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       1.5
      27.0       4.9
      28.0       3.1
      29.0      11.2
      39.0       2.5
      41.0      26.3
      42.0       6.6
      43.0      44.5
      44.0       1.5
      53.0       1.3
      54.0       2.5
      55.0      30.8
      56.0       8.1
      57.0      59.7
      58.0       4.3
      67.0       7.7
      68.0       2.6
      69.0      21.0
      70.0       6.0
      71.0      39.5
      72.0       2.3
      79.0       1.2
      81.0      10.3
      82.0       3.2
      83.0      20.7
      84.0       5.2
      85.0      26.2
      86.0      10.3
      87.0       2.7
      91.0       1.4
      92.0       2.2
      93.0       1.0
      95.0      16.6
      96.0       3.1
      97.0      17.1
      98.0       5.4
      99.0       7.1
     109.0      10.9
     110.0       1.8
     111.0       8.8
     112.0       2.4
     113.0       4.1
     121.0       1.1
     123.0       6.6
     124.0       1.1
     125.0       3.7
     126.0       1.4
     127.0       2.5
     137.0       4.0
     139.0       1.6
     140.0       1.4
     141.0       1.6
     151.0       1.5
     153.0       1.1
     154.0       1.5
     155.0       1.2
     168.0       1.3
     182.0       1.2
     196.0       1.3
     210.0       1.2
     224.0       1.0
     238.0       1.0
     239.0      14.2
     240.0       3.1
     249.0       1.4
     253.0       1.8
     265.0       1.2
     266.0       4.8
     267.0     100.0
     268.0      20.7
     269.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₀ H₃₈ O₂	0.044 g : 0.5 ml CDCl₃
vinyl stearate

    Assign.     Shift(ppm)

      A             7.282
      B             4.868
      C             4.550
      D             2.37
      E             1.65
      F             1.26
      G             0.88

     Hz     ppm     Int.

    662.88   7.402     27
    656.56   7.331     29
    648.88   7.246     32
    642.56   7.175     32
    443.31   4.950     31
    441.81   4.934     33
    429.31   4.794     26
    427.81   4.777     30
    411.31   4.593     33
    409.75   4.576     31
    405.00   4.523     33
    403.44   4.505     28
    213.44   2.384     32
    206.38   2.305     24
    205.75   2.298     25
    112.69   1.259   1000
     78.81   0.880     53

in CDCl3