5-METHYL-2-NITROBENZYL ALCOHOL(66424-92-8) MS

Product Name5-METHYL-2-NITROBENZYL ALCOHOL

CAS 66424-92-8

Molecular FormulaC8H9NO3

Molecular Weight167.16

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

InChIKey IKEYTRGLCHZQHO-UHFFFAOYSA-N

SmilesC1(CO)=CC(C)=CC=C1[N+]([O-])=O

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5-METHYL-2-NITROBENZYL ALCOHOL(66424-92-8) MS
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

5-METHYL-2-NITROBENZYL ALCOHOL(66424-92-8) MS

¹H NMR	89.56 MHz
C₈ H₉ N O₃	0.042 g : 0.5 ml CDCl₃
5-methyl-2-nitrobenzyl alcohol

    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