619-14-7

3-羟基-4-硝基苯甲酸(619-14-7)质谱(MS)

产品名称:3-羟基-4-硝基苯甲酸

CAS:619-14-7

分子式:C7H5NO5

分子量: 183.12

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

InChIKey: XLDLRRGZWIEEHT-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C([N+]([O-])=O)C(O)=C1

Mass

MS-NW-6935          
3-hydroxy-4-nitrobenzoic acid
C7H5NO5             (Mass of molecular ion:    183)

   Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       3.5
      26.0       1.0
      27.0       4.0
      28.0       2.4
      29.0       1.7
      30.0       6.2
      37.0       3.0
      38.0       6.4
      39.0      12.0
      41.0       1.7
      45.0       4.6
      50.0       3.8
      51.0       6.8
      52.0       4.0
      53.0      12.8
      54.0       1.1
      55.0       3.8
      61.0       3.3
      62.0       8.7
      63.0      19.9
      64.0       5.5
      65.0       1.7
      66.0       1.6
      69.0       4.5
      74.0       1.3
      75.0       1.3
      76.0       1.1
      77.0       1.5
      78.0       1.2
      79.0       2.6
      80.0       3.4
      81.0      12.7
      82.0       1.0
      91.0       5.6
      92.0       2.5
      93.0       2.1
      96.0       1.1
      97.0       9.3
     107.0       2.1
     108.0       4.9
     109.0       5.2
     119.0      12.5
     120.0       3.0
     121.0       3.0
     122.0       1.4
     125.0       8.3
     136.0       3.9
     137.0       2.9
     138.0       5.8
     150.0       1.0
     153.0      13.5
     154.0       1.1
     166.0       4.5
     183.0     100.0
     184.0       8.3
     185.0       1.4

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₅ N O₅	0.040 g : 0.5 ml DMSO-d₆
3-hydroxy-4-nitrobenzoic acid

    Assign.     Shift(ppm)

      A            11.4
      B             7.955
      C             7.707
      D             7.505

     Hz     ppm     Int.

   4569.09  11.433     58
   3183.84   7.967    902
   3175.29   7.946    984
   3081.30   7.710    996
   3079.59   7.706   1000
   3004.64   7.519    609
   3002.93   7.514    584
   2996.09   7.497    547
   2994.38   7.493    530

in DMSO-d6