55726-22-2

花生酸酐(55726-22-2)核磁图(¹³CNMR)

分子式:C40H78O3

分子量: 607.05

InChI:InChI=1S/C40H78O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)43-40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

InChIKey: AUONNNVJUCSETH-UHFFFAOYSA-N

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

Mass

MS-IW-4189          
icosanoic anhydride
C40H78O3            (Mass of molecular ion:    606)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       4.6
      27.0       2.2
      28.0       1.1
      29.0       5.8
      39.0       1.4
      41.0      15.1
      42.0       3.2
      43.0      27.9
      44.0       1.0
      54.0       2.8
      55.0      26.7
      56.0       7.5
      57.0      28.5
      58.0       1.6
      60.0      13.4
      61.0       5.8
      67.0       5.0
      68.0       5.2
      69.0      16.1
      70.0       8.6
      71.0      17.1
      72.0       1.2
      73.0      18.0
      74.0       2.0
      79.0       1.4
      80.0       1.2
      81.0       5.2
      82.0       6.0
      83.0      21.0
      84.0      20.6
      85.0      11.5
      86.0       1.0
      87.0       5.9
      93.0       1.4
      94.0       1.4
      95.0       3.9
      96.0       5.3
      97.0      18.9
      98.0     100.0
      99.0      10.2
     100.0       1.0
     101.0       2.5
     102.0       1.3
     109.0       2.2
     110.0       2.4
     111.0      15.8
     112.0      24.7
     113.0       4.2
     115.0       4.2
     116.0       2.8
     121.0       1.6
     123.0       1.3
     124.0       1.6
     125.0       5.5
     126.0       2.7
     127.0       1.9
     129.0      11.8
     130.0       1.9
     135.0       1.2
     138.0       1.1
     139.0       2.3
     140.0       1.2
     141.0       1.4
     143.0       2.5
     144.0       1.1
     153.0       1.3
     154.0       1.0
     155.0       1.1
     157.0       3.2
     158.0       1.2
     171.0       4.1
     172.0       1.2
     185.0       5.1
     186.0       1.0
     199.0       2.2
     213.0       4.8
     214.0       1.0
     227.0       3.5
     241.0       2.5
     250.0       1.1
     255.0       1.7
     269.0       6.2
     270.0       1.2
     283.0       1.4
     294.0       1.9
     295.0       3.5
     312.0      29.5
     313.0       6.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄₀ H₇₈ O₃	0.030 g : 0.5 ml CDCl₃
icosanoic anhydride

    Assign.     Shift(ppm)

      A             2.436
      B             1.654
      C             1.30
      D             1.26
      E             0.879

     Hz     ppm     Int.

    981.45   2.456     49
    974.00   2.438     88
    966.55   2.419     55
    661.87   1.657     32
    525.02   1.314     42
    524.78   1.314     42
    524.54   1.313     42
    520.26   1.302     52
    513.06   1.284     83
    502.56   1.258   1000
    358.52   0.898     44
    351.93   0.881    136
    344.85   0.863     54

in CDCl3