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Back ChemicalBook Home>CAS DataBase List>125-12-2More Spectrum> Isobornyl acetate(125-12-2) MS

Isobornyl acetate(125-12-2) MS

Product NameIsobornyl acetate

CAS125-12-2

Molecular FormulaC12H20O2

Molecular Weight196.29

InChIInChI=1/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10-,12+/s3

InChIKey KGEKLUUHTZCSIP-RZOQWEAYNA-N

Smiles[C@]12(C)C(C)(C)[C@]([H])(CC1)C[C@H]2OC(=O)C |&1:0,5,10,r|

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MS

1HNMR

13CNMR

IR1

Raman 





  •     Assign.     Shift(ppm)
    
      A             4.669
      B             2.013
      C             1.77
      D     *1      1.70
      E     *2      1.548
      F     *2      1.15
      G     *1      1.05
      J             0.982
      K     *3      0.842
      L     *3      0.838
     
     ASSIGNED BY C-H COSY.
    Spectral Code: 1H NMR : 400 MHz in CDCl3






  • Spectral Code: Raman : 4880 A,200 M,liquid

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Isobornyl acetate(125-12-2) MS Atlas of Related Products

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