637-55-8

硬脂酸苯酯(637-55-8)质谱(MS)

分子式:C24H40O2

分子量: 360.57

InChI:InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3

InChIKey: NUMNZKICGJJSHN-UHFFFAOYSA-N

Smiles:C(OC1=CC=CC=C1)(=O)CCCCCCCCCCCCCCCCC

Mass

MS-NW-2308          
phenyl stearate
C24H40O2            (Mass of molecular ion:    360)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       3.3
      27.0       4.9
      28.0       1.2
      29.0      11.5
      39.0       7.1
      40.0       2.6
      41.0      25.4
      42.0       5.3
      43.0      45.8
      44.0       1.6
      51.0       1.4
      53.0       1.5
      54.0       2.8
      55.0      29.4
      56.0       7.3
      57.0      60.8
      58.0       2.8
      65.0       6.3
      66.0       5.8
      67.0       7.2
      68.0       3.4
      69.0      18.1
      70.0       5.4
      71.0      38.6
      72.0       2.2
      77.0       2.8
      79.0       1.4
      80.0       1.1
      81.0       8.5
      82.0       3.1
      83.0      17.8
      84.0       9.7
      85.0      24.7
      86.0       1.7
      91.0       1.0
      93.0       1.7
      94.0     100.0
      95.0      21.1
      96.0       3.1
      97.0      14.4
      98.0      43.9
      99.0       7.7
     109.0       8.4
     110.0       1.4
     111.0       9.0
     112.0      10.6
     113.0       3.7
     121.0       1.1
     123.0       4.9
     125.0       2.5
     126.0       1.0
     127.0       1.8
     136.0       2.8
     137.0       2.9
     141.0       1.0
     151.0       1.0
     267.0      65.0
     268.0      12.8
     269.0       1.3
     360.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₄ H₄₀ O₂	0.051 g : 0.5 ml CDCl₃
phenyl stearate

    Assign.     Shift(ppm)

      A             7.37
      B             7.29
      C             7.06
      D             2.54
      E             1.75
      F             1.26
      G             0.89

     Hz     ppm     Int.

    660.88   7.380     33
    653.44   7.297     59
    652.69   7.288     41
    650.38   7.262     34
    648.44   7.241     39
    644.25   7.194     22
    638.06   7.125     29
    637.25   7.116     46
    635.38   7.095     49
    628.88   7.022     34
    627.38   7.006     25
    228.13   2.548     41
    220.94   2.467     30
    220.38   2.461     30
    126.06   1.408     27
    125.88   1.406     27
    112.88   1.261   1000
     78.75   0.880     64

in CDCl3