645-66-9

十二酸酐(645-66-9)質譜(MS)

產品名稱:十二酸酐

CAS:645-66-9

分子式:C24H46O3

分子量: 382.62

InChI:InChI=1S/C24H46O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)27-24(26)22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3

InChIKey: NWADXBLMWHFGGU-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-2005          
lauric anhydride
C24H46O3            (Mass of molecular ion:    382)

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

      18.0       4.4
      27.0      19.1
      28.0       4.1
      29.0      25.7
      39.0      10.4
      40.0       2.1
      41.0      45.7
      42.0      13.2
      43.0      56.8
      44.0       1.9
      45.0       2.0
      53.0       3.4
      54.0       8.3
      55.0      48.6
      56.0      16.9
      57.0      45.2
      58.0       2.2
      59.0       1.7
      60.0      38.5
      61.0       7.4
      67.0       8.9
      68.0       8.0
      69.0      23.6
      70.0      15.8
      71.0      24.0
      72.0       1.5
      73.0      39.3
      74.0       3.5
      79.0       2.5
      80.0       1.9
      81.0       7.4
      82.0       6.4
      83.0      21.6
      84.0      33.4
      85.0      20.6
      86.0       1.6
      87.0       6.7
      88.0       1.1
      93.0       2.0
      94.0       1.6
      95.0       6.9
      96.0       5.8
      97.0      19.1
      98.0     100.0
      99.0       8.7
     100.0       1.1
     101.0       6.0
     102.0       1.2
     107.0       1.1
     109.0       4.0
     110.0       3.0
     111.0      13.8
     112.0      20.1
     113.0       2.4
     115.0       7.1
     116.0       1.0
     121.0       1.3
     123.0       1.0
     125.0       2.8
     126.0       3.0
     129.0      14.3
     130.0       4.0
     138.0       4.2
     139.0       1.9
     140.0       3.5
     141.0       1.8
     143.0       3.1
     144.0       1.8
     157.0       9.9
     158.0       1.7
     171.0       3.5
     182.0       2.2
     183.0      54.4
     184.0       7.3
     199.0       1.2
     200.0      13.3
     201.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₂₄ H₄₆ O₃	0.048 g : 0.5 ml CDCl₃
lauric anhydride

    Assign.     Shift(ppm)

      A             2.44
      B             1.66
      C             1.27
      D             0.89

     Hz     ppm     Int.

    226.38   2.528     43
    225.50   2.518     39
    218.81   2.444    111
    211.31   2.360     87
    149.06   1.665     34
    148.38   1.657     36
    147.31   1.645     32
    127.06   1.419     31
    122.00   1.363     62
    113.25   1.265   1000
     84.06   0.939     57
     82.00   0.916     45
     81.31   0.908     44
     78.81   0.880    182
     72.75   0.813     38

in CDCl3