3-Nitrosalicylic acid(85-38-1) IR1

Product Name3-Nitrosalicylic acid

CAS 85-38-1

Molecular FormulaC7H5NO5

Molecular Weight183.12

InChIInChI=1S/C7H5NO5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)

InChIKey WWWFHFGUOIQNJC-UHFFFAOYSA-N

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

Request For Quotation

¹HNMR

IR1

IR2

Mass

MS-NW-0286          
3-nitrosalicylic acid
C7H5NO5             (Mass of molecular ion:    183)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      17.0       2.2
      18.0      10.5
      27.0       3.0
      28.0       1.8
      29.0       1.0
      30.0       4.1
      37.0       2.6
      38.0       5.1
      39.0       8.6
      41.0       1.1
      43.0       1.1
      45.0       3.4
      50.0       2.7
      51.0       6.8
      52.0       2.9
      53.0       7.6
      55.0       2.5
      57.0       1.0
      61.0       2.5
      62.0       6.9
      63.0      21.6
      64.0       5.8
      65.0       3.0
      66.0       1.5
      69.0       1.1
      74.0       1.2
      75.0       1.1
      77.0       1.4
      79.0       4.1
      81.0       3.5
      91.0      22.1
      92.0       5.2
      93.0       1.2
     107.0      33.2
     108.0       2.5
     119.0      11.1
     120.0       2.7
     121.0       2.1
     135.0       3.0
     149.0       7.8
     165.0     100.0
     166.0       9.6
     167.0       1.4
     183.0      51.0
     184.0       4.3

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₅ N O₅	0.043 g : 0.5 ml DMSO-d₆
3-nitrosalicylic acid

    Assign.     Shift(ppm)

      A     *1      8.175
      B     *1      8.143
      C             7.098
      D             6.73
     
     J(A,B)=1.9HZ. J(A,C)=J(B,C)=7.9HZ.
     THE PEAK OF D CONTAINS H2O SIGNAL IN THE SOLVENT.

     Hz     ppm     Int.

    737.60   8.236    268
    735.74   8.216    668
    734.08   8.197    664
    732.23   8.176    326
    729.59   8.147    257
    727.83   8.127    824
    726.07   8.108    941
    724.32   8.088    263
    722.36   8.066     27
    643.07   7.181    597
    635.06   7.091    971
    627.15   7.003    447
    602.83   6.732   1000

KBr disc