601-89-8

2-Nitroresorcinol(601-89-8) ¹³C NMR

Product Name2-Nitroresorcinol

CAS 601-89-8

Molecular FormulaC6H5NO4

Molecular Weight155.11

InChIInChI=1S/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H

InChIKey ZLCPKMIJYMHZMJ-UHFFFAOYSA-N

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

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2-Nitroresorcinol(601-89-8) <sup>13</sup>C NMR
Mass

MS-NW-1193          
2-nitroresorcinol
C6H5NO4             (Mass of molecular ion:    155)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      26.0       7.1
      27.0      10.4
      28.0       4.7
      29.0       5.2
      30.0       9.5
      37.0       5.3
      38.0       9.2
      39.0      33.5
      40.0       3.3
      41.0       2.2
      42.0       2.0
      49.0       1.9
      50.0       8.5
      51.0      24.0
      52.0      22.5
      53.0      19.5
      54.0      14.5
      55.0      11.5
      56.0       1.2
      61.0       1.7
      62.0       3.3
      63.0       6.6
      64.0       2.6
      65.0       4.6
      66.0       5.2
      67.0       2.3
      68.0       3.4
      69.0       2.7
      70.0       5.8
      77.0       1.2
      79.0       9.1
      80.0       6.3
      81.0      36.5
      82.0       3.5
      91.0       1.6
      93.0      11.0
      94.0       2.5
      95.0      36.3
      96.0       4.6
      97.0       1.4
     107.0       1.2
     108.0       1.1
     109.0     100.0
     110.0       6.4
     122.0       1.7
     137.0      11.2
     138.0       1.0
     155.0      38.8
     156.0       2.8

90 MHz in CDCl3

2-Nitroresorcinol(601-89-8) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₆ H₅ N O₄	0.053 g : 0.5 ml CDCl₃
2-nitroresorcinol

    Assign.     Shift(ppm)

      A            10.65
      B             7.431
      C             6.614

     Hz     ppm     Int.

    955.88  10.674     34
    953.69  10.649   1000
    949.88  10.607     27
    674.69   7.534    109
    666.75   7.445    150
    666.25   7.440    160
    665.88   7.436    160
    657.94   7.347    163
    596.06   6.656    639
    592.69   6.618     29
    587.81   6.564    453
    587.38   6.559    429

in CDCl3