1HNMR)的核磁圖,紅外圖譜,Raman光譜,質(zhì)譜等圖譜" /> 1HNMR)" />

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699-02-5

煙芐酯(699-02-5)核磁圖(1HNMR)

產(chǎn)品名稱:煙芐酯

CAS:699-02-5

分子式:C9H12O

分子量: 136.19

InChI:InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3

InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=C(C)C=C1

  • 圖譜
    Mass 

    MS-NW-6093          
4-methylphenethyl alcohol
C9H12O              (Mass of molecular ion:    136)


       Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV


          27.0       3.1
      28.0       2.9
      31.0       1.9
      39.0       4.5
      41.0       1.2
      50.0       1.6
      51.0       3.9
      52.0       1.3
      53.0       1.8
      63.0       2.3
      65.0       3.2
      77.0      10.6
      78.0       3.3
      79.0       9.8
      89.0       1.1
      91.0      10.7
      92.0       1.9
     103.0       6.5
     104.0       3.1
     105.0     100.0
     106.0      22.9
     107.0       1.9
     115.0       1.4
     117.0       2.5
     118.0       1.9
     136.0      27.4
     137.0       2.9

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C9 H12 O 0.05 ml : 0.5 ml CDCl3
    4-methylphenethyl alcohol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.08
      B             3.725
      C             2.756
      D             2.53
      E             2.292
  

         Hz     ppm     Int.


       2837.04   7.099     61
   2827.64   7.076   1000
   2822.14   7.062     61
   2819.95   7.057     60
   2818.85   7.054     71
   1495.61   3.743     99
   1488.77   3.726    187
   1482.06   3.709    109
   1108.15   2.773    236
   1101.32   2.756    423
   1094.48   2.739    227
   1010.25   2.528    102
    916.14   2.293    973

in CDCl3

  • 圖譜

liquid film

  • 圖譜

4880 A,200 M,liquid

  • 圖譜

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