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返回ChemicalBook首頁>CAS數(shù)據(jù)庫列表>80866-76-8更多圖譜> 3-甲基-2-硝基芐醇(80866-76-8)Raman光譜

80866-76-8

3-甲基-2-硝基芐醇(80866-76-8)Raman光譜

產(chǎn)品名稱:3-甲基-2-硝基芐醇

CAS:80866-76-8

分子式:C8H9NO3

分子量: 167.16

InChI:InChI=1S/C8H9NO3/c1-6-3-2-4-7(5-10)8(6)9(11)12/h2-4,10H,5H2,1H3

InChIKey: NELPTBUSFQMYOB-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC(C)=C1[N+]([O-])=O

  • 圖譜
    Mass

    MS-NW-6708          
    3-methyl-2-nitrobenzyl alcohol
    C8H9NO3             (Mass of molecular ion:    167)
    

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

          18.0       2.5
          26.0       1.1
          27.0       8.3
          28.0       7.0
          29.0       5.5
          30.0       4.7
          31.0       5.0
          37.0       1.6
          38.0       4.5
          39.0      26.8
          40.0       3.8
          41.0      12.3
          42.0       1.2
          43.0      16.4
          44.0       1.0
          47.0       1.0
          50.0       8.0
          51.0      21.2
          52.0       8.9
          53.0      11.8
          54.0       2.1
          55.0       3.0
          61.0       2.3
          62.0       5.8
          63.0      17.6
          64.0       7.1
          65.0      54.0
          66.0      16.0
          67.0       4.8
          68.0       1.4
          69.0       1.7
          74.0       3.0
          75.0       3.6
          76.0       5.4
          77.0      65.3
          78.0      31.6
          79.0      10.4
          80.0       1.6
          81.0       4.0
          86.0       1.3
          87.0       1.3
          89.0      11.8
          90.0       6.9
          91.0     100.0
          92.0      20.1
          93.0      38.5
          94.0      12.1
          95.0       1.5
         102.0       3.7
         103.0      20.8
         104.0      76.9
         105.0      16.6
         106.0       5.2
         107.0       5.2
         108.0       1.2
         109.0       2.2
         118.0       3.7
         119.0      15.6
         120.0       5.3
         121.0       5.4
         122.0       2.4
         130.0       2.5
         131.0       6.1
         132.0      11.4
         133.0       2.2
         134.0       2.3
         135.0       2.6
         148.0       4.9
         149.0      22.2
         150.0       2.8
    

400 MHz in CDCl3

  • 圖譜

    1H NMR 399.65 MHz
    C8 H9 N O3 0.041 g : 0.5 ml CDCl3
    3-methyl-2-nitrobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.39 B 7.253 C 4.630 D 2.65 E 2.352

         Hz     ppm     Int.
    

       2964.72   7.419     31
       2957.03   7.400    207
       2954.35   7.393    165
       2951.05   7.385    541
       2946.66   7.374     36
       2907.23   7.275     46
       2902.22   7.262     90
       2898.80   7.254    103
       2896.61   7.248     58
       2895.87   7.247     57
       2893.07   7.240     68
       1853.76   4.639    272
       1847.66   4.624    274
       1065.67   2.667     63
       1059.57   2.652    144
       1053.34   2.636     61
        940.19   2.353   1000
    

in CDCl3

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

  • 圖譜

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