5-硝基二氫吲哚(32692-19-6)Raman光譜

產(chǎn)品名稱:5-硝基二氫吲哚

CAS:32692-19-6

分子式:C8H8N2O2

分子量: 164.16

InChI:InChI=1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2

InChIKey: WJQWYAJTPPYORB-UHFFFAOYSA-N

Smiles:N1C2=C(C=C([N+]([O-])=O)C=C2)CC1

Mass

MS-NW-9702          
5-nitroindoline
C8H8N2O2            (Mass of molecular ion:    164)

   Source Temperature: 120 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      17.0       1.2
      18.0       5.9
      38.0       1.1
      39.0       4.6
      41.0       1.2
      50.0       1.8
      51.0       3.5
      52.0       2.3
      53.0       1.0
      58.5       1.1
      62.0       2.7
      63.0       8.8
      64.0       2.3
      65.0       6.6
      66.0       1.0
      76.0       1.0
      77.0       3.2
      78.0       2.3
      79.0       3.0
      89.0      16.8
      90.0      15.6
      91.0      21.2
      92.0       2.6
     104.0       1.2
     106.0       2.9
     116.0       6.9
     117.0      48.2
     118.0      47.4
     119.0       4.3
     132.0       1.1
     134.0      22.1
     135.0       2.2
     146.0       2.5
     148.0       2.1
     163.0       4.5
     164.0     100.0
     165.0      10.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₈ N₂ O₂	0.035 g : 0.5 ml CDCl₃
5-nitroindoline

    Assign.     Shift(ppm)

      A             7.972
      B             7.914
      C             6.468
      D             4.73
      E             3.761
      F             3.104

     Hz     ppm     Int.

   3191.89   7.987    275
   3189.58   7.981    317
   3183.11   7.965    279
   3180.91   7.960    338
   3165.28   7.921    281
   3164.06   7.918    497
   3162.96   7.915    466
   3161.87   7.912    434
   2589.36   6.480    640
   2584.84   6.468     30
   2580.69   6.458    631
   1888.92   4.727    104
   1512.45   3.785    540
   1503.78   3.763   1000
   1495.12   3.742    662
   1248.54   3.125    362
   1240.23   3.104    650
   1231.69   3.082    329

in CDCl3