55726-23-3

山庚酸酐(55726-23-3)红外图谱(IR2)

分子式:C44H86O3

分子量: 663.15

InChI:InChI=1S/C44H86O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(45)47-44(46)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3

InChIKey: IJVLPVWXJLKHID-UHFFFAOYSA-N

Smiles:O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCC

Mass

MS-IW-4197          
docosanoic anhydride
C44H86O3            (Mass of molecular ion:    662)

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

      17.0       2.6
      18.0      15.4
      27.0       1.8
      28.0       2.0
      29.0       4.9
      39.0       1.4
      41.0      13.4
      42.0       3.0
      43.0      26.9
      44.0       1.2
      54.0       2.5
      55.0      25.4
      56.0       7.7
      57.0      29.9
      58.0       1.7
      60.0      10.8
      61.0       5.7
      67.0       5.4
      68.0       5.4
      69.0      16.0
      70.0       8.4
      71.0      17.7
      72.0       1.3
      73.0      15.1
      74.0       1.9
      79.0       1.6
      80.0       1.5
      81.0       5.8
      82.0       6.8
      83.0      21.4
      84.0      20.8
      85.0      11.9
      86.0       1.0
      87.0       6.0
      93.0       1.5
      94.0       1.7
      95.0       4.3
      96.0       6.0
      97.0      19.8
      98.0     100.0
      99.0      10.2
     100.0       1.0
     101.0       2.0
     102.0       1.0
     107.0       1.0
     109.0       2.2
     110.0       2.5
     111.0      15.4
     112.0      23.2
     113.0       4.2
     115.0       3.4
     116.0       2.8
     121.0       1.7
     123.0       1.5
     124.0       1.7
     125.0       5.5
     126.0       2.4
     127.0       1.9
     129.0      11.2
     130.0       1.8
     135.0       1.3
     138.0       1.2
     139.0       2.3
     140.0       1.1
     141.0       1.3
     143.0       2.6
     153.0       1.3
     157.0       1.6
     171.0       3.0
     172.0       1.3
     185.0       5.7
     186.0       1.2
     199.0       2.3
     213.0       1.6
     227.0       2.2
     241.0       4.6
     246.0       1.7
     255.0       2.0
     283.0       1.5
     297.0       4.6
     298.0       1.0
     323.0       1.1
     340.0      12.7
     341.0       3.1

400 MHz at 30C

¹H NMR	399.65 MHz
C₄₄ H₈₆ O₃	0.027 g : 0.5 ml CDCl₃ at 30C
docosanoic anhydride

    Assign.     Shift(ppm)

      A             2.436
      B             1.655
      C             1.30
      D             1.26
      E             0.879

     Hz     ppm     Int.

    981.32   2.456     40
    974.00   2.438     72
    966.43   2.419     44
    661.87   1.657     26
    654.42   1.638     21
    536.38   1.343     20
    535.89   1.341     20
    535.52   1.340     20
    526.98   1.319     33
    520.39   1.303     47
    520.02   1.302     46
    502.56   1.258   1000
    358.64   0.898     37
    351.81   0.881    111
    344.85   0.863     43

in CDCl3