ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>66424-92-8更多图谱> 5-甲基-2-硝基苄醇(66424-92-8)Raman光谱

66424-92-8

5-甲基-2-硝基苄醇(66424-92-8)Raman光谱

分子式:C8H9NO3

分子量: 167.16

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

InChIKey: IKEYTRGLCHZQHO-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-NW-6668          
    5-methyl-2-nitrobenzyl alcohol
    C8H9NO3             (Mass of molecular ion:    167)
    

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

          17.0       3.3
          18.0      14.9
          26.0       1.3
          27.0      11.8
          28.0      10.1
          29.0       6.6
          30.0       7.0
          31.0       5.1
          32.0       1.2
          37.0       1.9
          38.0       4.8
          39.0      34.3
          40.0       4.7
          41.0      17.1
          42.0       1.6
          43.0       4.4
          44.0       1.5
          45.0       1.1
          47.0       1.9
          50.0      10.2
          51.0      24.3
          52.0      10.2
          53.0      16.0
          54.0       2.9
          55.0       4.2
          61.0       2.6
          62.0       7.6
          63.0      20.6
          64.0       6.7
          65.0      69.7
          66.0      32.1
          67.0       6.9
          68.0       1.0
          74.0       3.3
          75.0       3.4
          76.0       3.8
          77.0      63.3
          78.0      44.3
          79.0      18.9
          80.0       2.7
          81.0       3.5
          86.0       1.8
          87.0       1.8
          89.0      14.9
          90.0       8.5
          91.0      99.7
          92.0      24.4
          93.0      81.9
          94.0      16.0
          95.0       1.6
         102.0       2.1
         103.0       4.0
         104.0     100.0
         105.0      13.2
         106.0      10.2
         107.0       8.3
         108.0       1.8
         109.0       1.2
         118.0       5.6
         119.0      22.1
         120.0       6.2
         121.0       5.7
         122.0       3.8
         132.0       1.0
         133.0       3.2
         134.0       2.5
         135.0       4.1
         148.0       3.0
         149.0       8.7
         150.0       1.5
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C8 H9 N O3 0.042 g : 0.5 ml CDCl3
    5-methyl-2-nitrobenzyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.010 B 7.517 C 7.25 D 4.936 E 2.456 F 2.43

         Hz     ppm     Int.
    

        722.06   8.063    175
        713.63   7.969    222
        674.00   7.526    126
        673.63   7.522    133
        673.31   7.518    133
        672.75   7.512    144
        672.38   7.508    143
        653.69   7.299     86
        653.25   7.294     88
        652.81   7.290     75
        651.94   7.280     81
        644.94   7.202     67
        643.63   7.187     63
        642.88   7.179     54
        442.06   4.936    624
        220.00   2.457   1000
        214.56   2.396     74
        213.44   2.384     57
    

in CDCl3

  • 图谱

KBr disc

  • 图谱

nujol mull

  • 图谱

  • 图谱

×