23876-13-3

2-甲基-3-硝基苯甲醇(23876-13-3)Raman光谱

产品名称:2-甲基-3-硝基苯甲醇

CAS:23876-13-3

分子式:C8H9NO3

分子量: 167.16

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

InChIKey: QJANIQCEDPJNLO-UHFFFAOYSA-N

Smiles:C1(CO)=CC=CC([N+]([O-])=O)=C1C

Mass

MS-NW-6689          
2-methyl-3-nitrobenzyl alcohol
C8H9NO3             (Mass of molecular ion:    167)

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

      18.0       1.8
      26.0       1.1
      27.0       7.2
      28.0       6.0
      29.0       4.3
      30.0       3.6
      31.0       6.6
      37.0       1.4
      38.0       3.5
      39.0      21.7
      40.0       2.8
      41.0      10.3
      42.0       1.7
      43.0      37.2
      44.0       1.3
      50.0       7.4
      51.0      18.8
      52.0       5.8
      53.0       9.1
      54.0       1.1
      55.0       3.3
      60.0       1.0
      61.0       1.8
      62.0       5.3
      63.0      15.0
      64.0       6.0
      65.0      34.6
      66.0       7.8
      67.0       3.2
      74.0       2.8
      75.0       3.2
      76.0       3.6
      77.0      50.4
      78.0      16.0
      79.0       5.3
      80.0       1.2
      81.0       1.5
      86.0       1.2
      87.0       1.1
      89.0      13.6
      90.0       9.1
      91.0      62.0
      92.0      21.4
      93.0      10.2
      94.0       7.4
      95.0       1.0
     102.0       3.8
     103.0       6.8
     104.0       7.9
     105.0       8.5
     106.0       3.2
     107.0       2.6
     108.0       1.1
     118.0       2.8
     119.0       6.5
     120.0      12.3
     121.0       4.6
     122.0       1.5
     132.0     100.0
     133.0       9.9
     134.0       1.1
     135.0       1.4
     148.0       1.4
     149.0      26.5
     150.0      48.2
     151.0       5.0
     152.0       3.7
     167.0      11.2
     168.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₉ N O₃	0.041 g : 0.5 ml CDCl₃
2-methyl-3-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.69
      B             7.63
      C             7.324
      D             4.757
      E             2.415
      F             2.17

     Hz     ppm     Int.

    693.63   7.745     65
    692.19   7.729     75
    688.19   7.685     61
    687.81   7.680     63
    686.19   7.662    118
    684.44   7.643    138
    680.13   7.595    130
    661.75   7.389    112
    653.94   7.302    124
    646.13   7.215     42
    426.06   4.758    507
    216.31   2.416   1000
    194.56   2.173    134

in CDCl3