5221-42-1

4-ACETAMIDOPYRIDINE(5221-42-1) IR2

Product Name4-ACETAMIDOPYRIDINE

CAS 5221-42-1

Molecular FormulaC7H8N2O

Molecular Weight136.15

InChIInChI=1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)

InChIKey BIJAWQUBRNHZGE-UHFFFAOYSA-N

SmilesC(NC1C=CN=CC=1)(=O)C

Request For Quotation

4-ACETAMIDOPYRIDINE(5221-42-1) IR2
Mass

MS-IW-3941          
N-(4-pyridyl)acetamide
C7H8N2O             (Mass of molecular ion:    136)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.8
      26.0       1.4
      28.0       6.5
      37.0       1.2
      38.0       3.2
      39.0       8.8
      40.0       5.7
      41.0       7.1
      42.0       4.4
      43.0      57.3
      44.0       1.8
      50.0       2.8
      51.0       7.3
      52.0       4.7
      53.0       1.2
      54.0       1.9
      64.0       1.0
      65.0       1.4
      66.0       4.4
      67.0      35.4
      68.0       3.5
      77.0       1.0
      78.0       3.9
      93.0       5.5
      94.0     100.0
      95.0       7.8
     107.0       1.3
     108.0       5.4
     136.0      54.8
     137.0       4.9

in DMSO-d6

parameter in DMSO-d6

4-ACETAMIDOPYRIDINE(5221-42-1) IR2

¹H NMR	300 MHz
C₇ H₈ N₂ O	30 % in DMSO
N-(4-pyridyl)acetamide

    Parameter     ppm  Hz

      D(A)         8.54
      D(B)         7.69
       J(A,A')         0.4
       J(A,B)          5.4
       J(A,B')         0.8
       J(A',B)         0.8
       J(A',B')        5.4
       J(B,B')         1.5
     
      D(C)        10.5
     
      D(D)         2.25
     
     BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.)
     66, 159 (1962)

     Hz     ppm     Int.

   3150.00  10.500    333
   2565.13   8.550    223
   2563.83   8.546    132
   2560.32   8.534    136
   2559.02   8.530    236
   2310.10   7.700    233
   2308.73   7.696    132
   2305.29   7.684    129
   2303.92   7.680    222
    675.03   2.250   1000

in DMSO-d6