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Back ChemicalBook Home>CAS DataBase List>55726-23-3More Spectrum> BEHENIC ANHYDRIDE(55726-23-3) 1H NMR

BEHENIC ANHYDRIDE(55726-23-3) 1H NMR

Product NameBEHENIC ANHYDRIDE

CAS55726-23-3

Molecular FormulaC44H86O3

Molecular Weight663.15

InChIInChI=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

SmilesO(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
    ChemicalStructure
        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



KBr disc



nujol mull



BEHENIC ANHYDRIDE(55726-23-3) 1H NMR Atlas of Related Products

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