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Back ChemicalBook Home>CAS DataBase List>135236-72-5More Spectrum> Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

135236-72-5

Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

Product NameCalcium beta-hydroxy-beta-methylbutyrate

CAS135236-72-5

Molecular FormulaC5H12CaO3

Molecular Weight160.23

InChIInChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2

InChIKey WLJUMPWVUPNXMF-UHFFFAOYSA-L

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

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1HNMR

13CNMR

IR1

IR2

400 MHz in DMSO-d6

  • Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

    1H NMR 399.65 MHz
    C10 H18 Ca O6 0.039 g : 0.5 ml DMSO-d6
    calcium 3-hydroxy-3-methylbutyrate
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             2.145
      B             1.116
  

         Hz     ppm     Int.


        857.54   2.146    160
    446.29   1.117   1000

in DMSO-d6

  • Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

KBr disc

  • Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

nujol mull

  • Calcium beta-hydroxy-beta-methylbutyrate(135236-72-5) IR2

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