Welcome to chemicalbook!
+1 (818) 612-2111
Inquriy
Try our best to find the right business for you.
Do not miss inquiry messages Please log in to view all inquiry messages.

Welcome back!

Back ChemicalBook Home>CAS DataBase List>104-04-1More Spectrum> 4'-Nitroacetanilide(104-04-1) MS

4'-Nitroacetanilide(104-04-1) MS

Product Name4'-Nitroacetanilide

CAS104-04-1

Molecular FormulaC8H8N2O3

Molecular Weight180.16

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

InChIKey NQRLPDFELNCFHW-UHFFFAOYSA-N

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


  • Mass

    MS-NW-1652          
    4'-nitroacetanilide
    C8H8N2O3            (Mass of molecular ion:    180)
    

       Source Temperature: 190 °C
       Sample Temperature: 180 °C
       Direct, 75 eV
    

          15.0       5.9
          18.0       2.8
          28.0       2.1
          30.0       6.4
          37.0       1.2
          38.0       4.3
          39.0       7.1
          40.0       1.0
          41.0       2.4
          42.0       2.0
          43.0      97.3
          44.0       2.2
          50.0       3.4
          51.0       2.4
          52.0       4.0
          53.0       2.1
          61.0       1.1
          62.0       2.6
          63.0       8.9
          64.0       7.8
          65.0      22.8
          66.0       2.7
          74.0       1.1
          75.0       1.5
          76.0       1.9
          79.0       1.0
          80.0       4.9
          90.0       1.9
          91.0       3.3
          92.0      26.4
          93.0       2.3
         105.0       1.1
         108.0      26.5
         109.0       2.0
         122.0       5.6
         138.0     100.0
         139.0       7.5
         180.0      33.4
         181.0       3.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H8 N2 O3 0.036 g : 0.5 ml DMSO-d6
    4'-nitroacetanilide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.57 B 8.211 C 7.834 D 2.143

         Hz     ppm     Int.
    

       4223.48  10.568     99
       3289.49   8.231     35
       3286.44   8.224    266
       3284.45   8.219     91
       3279.27   8.206     97
       3277.28   8.201    293
       3274.23   8.193     37
       3138.12   7.853     41
       3135.22   7.845    293
       3133.24   7.840     95
       3130.49   7.834     22
       3128.05   7.827     90
       3126.07   7.823    253
       3123.02   7.815     32
        856.48   2.144   1000
    

in DMSO-d6



KBr disc



nujol mull





4'-Nitroacetanilide(104-04-1) MS Atlas of Related Products

×