Beta-Damascone(35044-68-9) ¹³C NMR

Product NameBeta-Damascone

CAS 35044-68-9

Molecular FormulaC13H20O

Molecular Weight192.3

InChIInChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3

InChIKey BGTBFNDXYDYBEY-UHFFFAOYSA-N

SmilesC(C1C(C)(C)CCCC=1C)(=O)C=CC

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¹HNMR

¹³CNMR

IR1

    Assign.     Shift(ppm)

      A             6.710
      B             6.156
      C             1.97
      D             1.916
      E          1.90 to 1.33
      F             1.511
      G             1.023
     
     J(A,B)=15.7HZ. J(A,D)=6.7HZ. J(B,D)=1.5HZ.

Spectral Code: 1H NMR : 90 MHz in CDCl3

       ppm   Int.  Assign.

      201.91   221      1
      145.32   402      2
      140.51   219      3
      134.72   448      4
      130.40   320      5
       38.98   446      6
       33.46   407      7
       31.27   506      8
       28.91  1000      9
       21.29   478     10
       19.04   501     11
       18.25   370     12

Spectral Code: 13C NMR : in CDCl3

Spectral Code: IR : liquid film

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Beta-Damascone(35044-68-9) 13C NMR

Beta-Damascone(35044-68-9) ¹³C NMR