3-Nitrosalicylaldehyde(5274-70-4) ¹H NMR

Product Name3-Nitrosalicylaldehyde

CAS 5274-70-4

Molecular FormulaC7H5NO4

Molecular Weight167.12

InChIInChI=1S/C7H5NO4/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-4,10H

InChIKey NUGOTBXFVWXVTE-UHFFFAOYSA-N

SmilesC(=O)C1=CC=CC([N+]([O-])=O)=C1O

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Mass

MS-NW-7207          
3-nitrosalicylaldehyde
C7H5NO4             (Mass of molecular ion:    167)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.1
      26.0       1.3
      27.0       3.1
      28.0       4.3
      29.0       5.1
      30.0       4.3
      37.0       4.7
      38.0       9.0
      39.0      25.1
      40.0       1.2
      49.0       1.6
      50.0       5.7
      51.0       8.1
      52.0       3.0
      53.0      10.9
      55.0       2.2
      61.0       3.4
      62.0       8.3
      63.0      27.7
      64.0      14.3
      65.0      19.2
      66.0       3.4
      67.0       1.0
      74.0       3.2
      75.0       4.4
      76.0       1.7
      77.0       5.6
      78.0       2.2
      79.0       1.0
      81.0       1.8
      91.0      35.9
      92.0      26.0
      93.0       6.0
     105.0       1.5
     107.0       1.2
     119.0      27.2
     120.0      42.4
     121.0       9.1
     149.0     100.0
     150.0      11.3
     151.0       1.5
     166.0       4.6
     167.0      17.2
     168.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ N O₄	0.051 g : 0.5 ml CDCl₃
3-nitrosalicylaldehyde

    Assign.     Shift(ppm)

      A            11.45
      B            10.401
      C             8.345
      D             8.111
      E             7.163
     
     J(B,E)=0.5HZ.

     Hz     ppm     Int.

   1025.32  11.449    997
    931.79  10.405   1000
    931.27  10.399    865
    752.86   8.407    290
    751.03   8.386    324
    744.51   8.313    329
    742.75   8.294    384
    731.40   8.167    265
    729.57   8.147    243
    723.78   8.082    328
    721.95   8.062    275
    649.00   7.247    269
    648.49   7.241    249
    640.80   7.155    418
    633.03   7.069    199
    632.52   7.063    183

in CDCl3