H-(2-羥乙基)2-氰基-4-硝基苯胺(63989-40-2)紅外圖譜(IR2)

產(chǎn)品名稱:H-(2-羥乙基)2-氰基-4-硝基苯胺

CAS:63989-40-2

分子式:C9H9N3O3

分子量: 207.19

InChI:InChI=1S/C9H9N3O3/c10-6-7-5-8(12(14)15)1-2-9(7)11-3-4-13/h1-2,5,11,13H,3-4H2

InChIKey: AADOGXABUHCROC-UHFFFAOYSA-N

Smiles:C(#N)C1=CC([N+]([O-])=O)=CC=C1NCCO

Mass

MS-IW-2653          
2-(2-hydroxyethylamino)-5-nitrobenzonitrile
C9H9N3O3            (Mass of molecular ion:    207)

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

      17.0       1.3
      18.0       6.5
      27.0       1.7
      28.0       3.5
      30.0       1.0
      31.0       1.7
      38.0       1.1
      39.0       1.2
      43.0       1.0
      45.0       1.1
      50.0       3.2
      51.0       1.9
      52.0       2.1
      62.0       1.4
      63.0       2.3
      64.0       1.3
      74.0       1.3
      75.0       4.3
      76.0       7.8
      77.0       1.9
      78.0       1.0
      88.0       1.2
      89.0       1.3
      90.0       2.2
     101.0       2.3
     102.0       3.0
     103.0      10.9
     104.0       2.2
     117.0       1.0
     118.0       2.9
     129.0       7.0
     130.0      54.5
     131.0       6.5
     146.0       1.4
     160.0       4.0
     176.0     100.0
     177.0      13.6
     178.0       1.2
     207.0      23.8
     208.0       2.7

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₉ H₉ N₃ O₃	0.031 g : 0.5 ml DMSO-d₆
2-(2-hydroxyethylamino)-5-nitrobenzonitrile

    Assign.     Shift(ppm)

      A             8.410
      B             8.190
      C     *1      7.37
      D             6.975
      E     *1      4.92
      F             3.601
      G             3.413

     Hz     ppm     Int.

   3362.55   8.414    968
   3359.86   8.408   1000
   3279.79   8.207    305
   3279.30   8.206    328
   3277.10   8.200    296
   3276.49   8.199    310
   3270.26   8.183    322
   3269.65   8.182    345
   3267.46   8.176    316
   3266.97   8.175    319
   2951.54   7.386    136
   2945.92   7.372    252
   2940.31   7.358    136
   2792.60   6.988    647
   2787.48   6.975     36
   2782.96   6.964    627
   1973.14   4.938    362
   1967.65   4.924    827
   1962.16   4.910    379
   1448.36   3.625    236
   1442.50   3.610    735
   1436.89   3.596    818
   1431.15   3.582    317
   1372.56   3.435    280
   1366.82   3.421    707
   1360.96   3.406    635
   1355.10   3.391    209

in DMSO-d6