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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>621-23-8更多圖譜> 1,3,5-三甲氧基苯(621-23-8)質(zhì)譜(MS)

621-23-8

1,3,5-三甲氧基苯(621-23-8)質(zhì)譜(MS)

產(chǎn)品名稱:1,3,5-三甲氧基苯

CAS:621-23-8

分子式:C9H12O3

分子量: 168.19

InChI:InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3

InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

Smiles:C1(OC)=CC(OC)=CC(OC)=C1

  • 圖譜
    Mass 

    MS-IW-4309          
1,3,5-trimethoxybenzene
C9H12O3             (Mass of molecular ion:    168)


       Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV


          39.0       2.0
      41.0       1.3
      51.0       2.7
      52.0       4.1
      53.0       1.4
      59.0       1.5
      62.0       1.0
      63.0       2.6
      64.0       1.2
      65.0       3.0
      66.0       1.1
      67.0       1.1
      69.0       6.9
      77.0       3.6
      78.0       6.2
      79.0       4.9
      80.0       2.1
      82.0       1.0
      84.0       1.5
      92.0       1.1
      93.0       2.8
      94.0       2.1
      95.0       4.8
      96.0       1.1
     107.0       4.4
     108.0       6.2
     109.0      10.6
     110.0       2.7
     122.0       3.1
     123.0       1.0
     124.0       6.0
     125.0       8.5
     137.0       4.2
     138.0       6.0
     139.0      61.0
     140.0       5.4
     167.0      12.1
     168.0     100.0
     169.0      10.2
     170.0       1.1

90 MHz in CDCl3

  • 圖譜

    1H NMR 89.56 MHz
    C9 H12 O3 0.050 g : 0.5 ml CDCl3
    1,3,5-trimethoxybenzene
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             6.080
      B             3.753
  

         Hz     ppm     Int.


        544.50   6.080    367
    336.13   3.754   1000

in CDCl3

  • 圖譜

CCl4 solution

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KBr disc

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4880 A,200 M,powder

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