4-Nitrobenzyl alcohol(619-73-8) IR1

Product Name4-Nitrobenzyl alcohol

CAS 619-73-8

Molecular FormulaC7H7NO3

Molecular Weight153.14

InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

InChIKey JKTYGPATCNUWKN-UHFFFAOYSA-N

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

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4-Nitrobenzyl alcohol(619-73-8) IR1
Mass

MS-NW-1714          
4-nitrobenzyl alcohol
C7H7NO3             (Mass of molecular ion:    153)

   Source Temperature: 150 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      18.0       2.9
      26.0       1.4
      27.0       9.2
      28.0       4.9
      29.0       8.3
      30.0       8.6
      31.0      10.7
      37.0       2.4
      38.0       5.1
      39.0      17.9
      40.0       2.2
      41.0       7.8
      43.0       1.0
      46.0       1.6
      49.0       1.4
      50.0      21.1
      51.0      38.5
      52.0      10.0
      53.0      10.0
      55.0       3.1
      61.0       2.0
      62.0       5.2
      63.0      14.5
      64.0       3.9
      65.0       4.7
      66.0       4.2
      67.0       4.3
      69.0       1.3
      73.0       1.7
      74.0       7.7
      75.0       6.3
      76.0       8.4
      77.0     100.0
      78.0      36.3
      79.0      26.5
      80.0       1.9
      86.0       1.0
      87.0       1.1
      89.0      43.1
      90.0       5.5
      91.0       1.6
      92.0       1.7
      94.0       6.6
      95.0       2.0
     104.0       1.6
     105.0      11.3
     106.0      23.3
     107.0      47.6
     108.0      17.9
     109.0       1.3
     122.0       1.7
     124.0       6.6
     125.0       2.0
     136.0      15.7
     137.0       3.3
     150.0       1.3
     152.0       5.1
     153.0      44.7
     154.0       3.7

90 MHz in CDCl3

4-Nitrobenzyl alcohol(619-73-8) IR1

¹H NMR	89.56 MHz
C₇ H₇ N O₃	0.040 g : 0.5 ml CDCl₃
4-nitrobenzyl alcohol

    Assign.     Shift(ppm)

      A             8.18
      B             7.52
      C             4.82
      D             2.41

     Hz     ppm     Int.

    739.63   8.259     90
    737.38   8.234    756
    735.31   8.211    274
    732.25   8.177     43
    730.56   8.158    273
    728.44   8.134   1000
    726.19   8.109    177
    723.88   8.083     39
    680.44   7.598     61
    679.69   7.590    116
    678.19   7.573    435
    677.50   7.565    871
    676.75   7.557    615
    675.38   7.542    270
    674.63   7.533    157
    671.38   7.497    123
    670.56   7.488    213
    669.25   7.473    479
    668.50   7.465    661
    667.75   7.456    338
    666.25   7.440    102
    665.50   7.431     65
    433.25   4.838    391
    430.00   4.802    421
    424.56   4.741     42
    215.56   2.407    421

in CDCl3