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122-40-7

甲位戊基桂醛(122-40-7)質(zhì)譜(MS)

產(chǎn)品名稱:甲位戊基桂醛

CAS:122-40-7

分子式:C14H18O

分子量: 202.29

InChI:InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3

InChIKey: HMKKIXGYKWDQSV-UHFFFAOYSA-N

Smiles:C(=O)C(=CC1=CC=CC=C1)CCCCC

  • 圖譜

  • 圖譜


        Assign.     Shift(ppm)
    
      A             9.545
      B             7.50
      C             7.44
      D             7.39
      E             7.200
      F             2.524
      G             1.50
      J             1.36
      K             1.34
      L             0.893
    Spectral Code: 1H NMR : 400 MHz in CDCl3

  • 圖譜


           ppm   Int.  Assign.
    
      195.46   423      1
      149.59   433      2
      143.40   373      3
      135.05   337      4
      129.61   948      5
      129.50   437      6
      128.77  1000      7
       32.06   426      8
       28.00   446      9
       24.76   469     10
       22.40   477     11
       13.99   444     12
    Spectral Code: 13C NMR : in CDCl3

  • 圖譜

    Spectral Code: IR : liquid film

  • 圖譜

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

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