2'-NITROACETANILIDE(552-32-9) MS

Product Name2'-NITROACETANILIDE

CAS 552-32-9

Molecular FormulaC8H8N2O3

Molecular Weight180.16

InChIInChI=1S/C8H8N2O3/c1-6(11)9-7-4-2-3-5-8(7)10(12)13/h2-5H,1H3,(H,9,11)

InChIKey BUNFNRVLMKHKIT-UHFFFAOYSA-N

SmilesC(NC1=CC=CC=C1[N+]([O-])=O)(=O)C

Request For Quotation

Mass

MS2015-05290CW      
2'-nitroacetanilide
C8H8N2O3            (Mass of molecular ion:    180)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      17.0       1.5
      18.0       6.2
      28.0       2.6
      38.0       1.3
      39.0       2.9
      43.0      24.4
      50.0       1.5
      51.0       2.3
      52.0       3.7
      62.0       1.2
      63.0       5.3
      64.0       4.4
      65.0      13.8
      66.0       1.5
      76.0       1.1
      77.0       1.9
      78.0       1.5
      80.0       7.0
      90.0       3.4
      91.0       3.2
      92.0      27.6
      93.0       2.5
     108.0      12.5
     121.0       4.3
     122.0       2.4
     132.0       1.0
     134.0       7.9
     138.0     100.0
     139.0       7.5
     180.0      20.5
     181.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₈ N₂ O₃	0.046 g : 0.5 ml CDCl₃
2'-nitroacetanilide

    Assign.     Shift(ppm)

      A            10.3
      B             8.76
      C             8.20
      D             7.65
      F             2.296

     Hz     ppm     Int.

    790.21   8.824     59
    788.89   8.809     57
    781.71   8.729     68
    780.25   8.713     65
    740.26   8.266     53
    738.72   8.249     57
    731.84   8.172     66
    730.22   8.154     69
    686.79   7.669     42
    686.43   7.665     41
    685.11   7.650     54
    649.73   7.255     57
    643.87   7.190     45
    642.55   7.175     69
    641.31   7.161     46
    635.38   7.095     36
    205.74   2.298   1000

in CDCl3