O-(4-NITROBENZYL)HYDROXYLAMINE HYDROCHLORIDE(2086-26-2) Raman

Product NameO-(4-NITROBENZYL)HYDROXYLAMINE HYDROCHLORIDE

CAS 2086-26-2

Molecular FormulaC7H9ClN2O3

Molecular Weight204.61

InChIInChI=1S/C7H8N2O3.ClH/c8-12-5-6-1-3-7(4-2-6)9(10)11;/h1-4H,5,8H2;1H

InChIKey LKCAFSOYOMFQSL-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)C=CC(CON)=CC=1.Cl

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Mass

MS-NW-2411          
O-(p-nitrobenzyl)hydroxylamine hydrochloride
C7H8N2O3 HCl        (Mass of molecular ion:    168)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      16.0       1.9
      17.0       2.1
      18.0      10.0
      27.0       1.8
      28.0       3.4
      29.0       2.3
      30.0      34.4
      32.0       2.1
      35.0       4.4
      36.0      33.7
      37.0       1.3
      38.0      11.0
      39.0       6.7
      40.0       1.4
      50.0      10.5
      51.0      14.7
      52.0       5.2
      62.0       2.3
      63.0       8.1
      64.0       4.8
      65.0       2.5
      74.0       3.5
      75.0       4.6
      76.0       6.0
      77.0      13.2
      78.0      50.6
      79.0       4.1
      89.0      21.2
      90.0      25.8
      91.0       3.1
      92.0       2.0
     104.0       2.4
     105.0       3.0
     106.0      24.6
     107.0       3.8
     120.0       2.8
     136.0     100.0
     137.0       9.9
     150.0       5.2
     151.0       5.2
     153.0       1.0
     168.0       1.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ N₂ O₃	0.039 g : 0.5 ml DMSO-d₆
o-(p-nitrobenzyl)hydroxylamine hydrochloride

    Assign.     Shift(ppm)

      A            11.4
      B             8.285
      C             7.729
      D             5.275

     Hz     ppm     Int.

   4571.84  11.440     31
   3318.24   8.303     74
   3315.86   8.297    559
   3313.85   8.292    211
   3309.09   8.280    198
   3307.07   8.275    625
   3304.69   8.269     99
   3096.61   7.749     77
   3094.23   7.743    506
   3085.44   7.721    481
   2108.80   5.277   1000

in DMSO-d6