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Back ChemicalBook Home>CAS DataBase List>51828-94-5More Spectrum> Calcium alpha-ketovaline(51828-94-5) 1H NMR

Calcium alpha-ketovaline(51828-94-5) 1H NMR

Molecular FormulaC5H10CaO3

Molecular Weight158.21

InChIInChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2

InChIKey IMZGMVJQWNJKCI-UHFFFAOYSA-L

SmilesC(=O)(C(C)C)C(=O)O[Ca]OC(=O)C(=O)C(C)C

parameter in D2O


  • 1H NMR 300 MHz
    C10 H14 Ca O6 0.041 g : 0.5 ml D2O
    calcium 3-methyl-2-oxobutyrate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 3.063 D(B) 1.128 J(A,B) 7.0

         Hz     ppm     Int.
    

        933.02   3.110     29
        926.02   3.087     72
        919.02   3.063     97
        912.02   3.040     75
        905.02   3.017     32
        341.89   1.140   1000
        334.89   1.116    974
    

in D2O



KBr disc



nujol mull



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