3-甲基-4-硝基芐醇(80866-75-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:3-甲基-4-硝基芐醇

CAS:80866-75-7

分子式:C8H9NO3

分子量: 167.16

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

InChIKey: KOVQGYQQVNCUBR-UHFFFAOYSA-N

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

Mass

MS-NW-6675          
3-methyl-4-nitrobenzyl alcohol
C8H9NO3             (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       2.6
      27.0       5.8
      28.0       7.3
      29.0       4.3
      30.0       3.5
      31.0       6.8
      32.0       1.0
      37.0       1.1
      38.0       2.9
      39.0      17.0
      40.0       2.5
      41.0      10.7
      43.0       4.1
      50.0       5.2
      51.0      13.2
      52.0       4.7
      53.0       9.0
      54.0       1.9
      55.0       4.6
      61.0       1.4
      62.0       4.1
      63.0      11.1
      64.0       3.8
      65.0      23.9
      66.0       5.1
      67.0       5.9
      68.0       1.1
      74.0       2.2
      75.0       2.1
      76.0       2.3
      77.0      44.3
      78.0      10.7
      79.0       4.9
      80.0       3.1
      81.0       3.1
      86.0       1.1
      87.0       1.1
      89.0       7.2
      90.0       3.4
      91.0      38.4
      92.0      28.5
      93.0       8.6
      94.0       6.5
      95.0       1.9
     102.0       2.1
     103.0      15.4
     104.0       5.7
     105.0       2.9
     106.0       2.4
     107.0       3.5
     108.0       1.5
     118.0       1.1
     119.0       4.3
     120.0      26.7
     121.0       5.0
     122.0       4.2
     132.0       3.5
     134.0       1.4
     135.0       1.4
     148.0       2.2
     150.0     100.0
     151.0      10.8
     152.0       3.0
     166.0       1.2
     167.0      13.0
     168.0       1.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O₃	0.048 g : 0.5 ml CDCl₃
3-methyl-4-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.932
      B             7.33
      C             7.29
      D             4.740
      E             2.581
      F             2.51

     Hz     ppm     Int.

    715.56   7.990    151
    712.69   7.958     37
    709.44   7.922     28
    706.63   7.891    202
    656.31   7.329    263
    655.56   7.320    231
    653.69   7.299    136
    650.13   7.260     99
    649.56   7.253     99
    648.25   7.239     67
    424.56   4.741    542
    231.19   2.582   1000
    225.19   2.515    174

in CDCl3