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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>108-68-9更多圖譜> 3,5-二甲基苯酚(108-68-9)紅外圖譜(IR2)

108-68-9

3,5-二甲基苯酚(108-68-9)紅外圖譜(IR2)

產(chǎn)品名稱:3,5-二甲基苯酚

CAS:108-68-9

分子式:C8H10O

分子量: 122.16

InChI:InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3

InChIKey: TUAMRELNJMMDMT-UHFFFAOYSA-N

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

  • 圖譜
    Mass 

    MS-NW-1665          
3,5-xylenol
C8H10O              (Mass of molecular ion:    122)


       Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV


          27.0       5.2
      38.0       1.9
      39.0       9.1
      40.0       1.2
      41.0       3.0
      43.0       1.9
      50.0       2.8
      51.0       6.5
      52.0       2.8
      53.0       5.1
      55.0       2.0
      60.0       2.1
      61.0       1.2
      62.0       1.1
      63.0       2.7
      65.0       4.1
      66.0       1.1
      67.0       1.2
      77.0      17.3
      78.0       4.6
      79.0      11.3
      80.0       1.0
      91.0       9.1
      92.0       1.1
      93.0       3.5
      94.0       1.5
     103.0       2.3
     104.0       1.8
     105.0       2.2
     107.0      67.8
     108.0       5.4
     121.0      30.6
     122.0     100.0
     123.0       8.8

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C8 H10 O 0.082 g : 0.5 ml CDCl3
    3,5-xylenol
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.560
      B             6.450
      C             5.70
      D             2.217
  

         Hz     ppm     Int.


        588.06   6.567     89
    587.44   6.560    101
    586.75   6.552     98
    586.06   6.544     81
    578.06   6.455    223
    577.44   6.448    222
    510.94   5.706     90
    198.88   2.221   1000
    198.31   2.215    967

in CDCl3

  • 圖譜

CCl4 solution

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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