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Back ChemicalBook Home>CAS DataBase List>2170-03-8More Spectrum> Itaconic anhydride(2170-03-8) 13C NMR

Itaconic anhydride(2170-03-8) 13C NMR

Product NameItaconic anhydride

CAS2170-03-8

Molecular FormulaC5H4O3

Molecular Weight112.08

InChIInChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2

InChIKey OFNISBHGPNMTMS-UHFFFAOYSA-N

SmilesO1C(=O)CC(=C)C1=O


  • Mass

    MS-NW-4639          
    itaconic anhydride
    C5H4O3              (Mass of molecular ion:    112)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          13.0       1.0
          14.0       1.6
          18.0       2.3
          24.0       1.0
          25.0       3.0
          26.0       4.1
          27.0       1.7
          28.0       5.7
          29.0       2.7
          34.0       1.5
          36.0       3.2
          37.0      14.7
          38.0      20.6
          39.0      95.1
          40.0     100.0
          41.0       4.7
          42.0       3.7
          44.0       3.6
          45.0       2.2
          53.0       4.7
          67.0       1.7
          68.0      92.2
          69.0       4.7
         112.0       2.2
    



in CDCl3



KBr disc



nujol mull





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