83-15-8

4-乙酰氨基安替比林(83-15-8)红外图谱(IR1)

产品名称:4-乙酰氨基安替比林

CAS:83-15-8

分子式:C13H15N3O2

分子量: 245.28

InChI:InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)

InChIKey: OIAGWXKSCXPNNZ-UHFFFAOYSA-N

Smiles:C(NC1=C(C)N(C)N(C2=CC=CC=C2)C1=O)(=O)C

Mass

MS-NW-6153          
4-acetamidoantipyrine
C13H15N3O2          (Mass of molecular ion:    245)

   Source Temperature: 150 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      15.0       7.6
      17.0       2.3
      18.0      11.5
      27.0       2.4
      28.0       5.3
      29.0       2.4
      30.0       2.2
      36.0       1.1
      38.0       1.0
      39.0       2.0
      41.0       1.6
      42.0       9.3
      43.0      16.7
      44.0       1.0
      49.0       1.3
      50.0       1.0
      51.0       3.8
      52.0       1.6
      54.0       3.1
      55.0       3.1
      56.0     100.0
      57.0      28.8
      58.0       2.5
      63.0       1.2
      64.0       2.7
      65.0       2.2
      67.0       1.0
      77.0       7.1
      78.0       1.2
      82.0       1.3
      83.0      30.2
      84.0      61.3
      85.0       3.3
      86.0       4.8
      91.0       3.7
      92.0       1.5
      93.0       3.8
     101.0       1.3
     109.0       1.2
     118.0       1.0
     119.0       2.3
     120.0       1.4
     126.0       1.3
     137.0       1.0
     202.0       7.7
     203.0      24.9
     204.0       3.1
     230.0       1.4
     245.0      58.2
     246.0       9.6
     247.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₃ H₁₅ N₃ O₂	0.041 g : 0.5 ml CDCl₃
4-acetamidoantipyrine

    Assign.     Shift(ppm)

      A             9.65
      B          7.61 to 7.17
      C             3.083
      D     *1      2.196
      E     *1      2.035

     Hz     ppm     Int.

    864.69   9.655     71
    864.31   9.651     71
    670.19   7.484     44
    668.50   7.465     56
    666.44   7.442     79
    662.56   7.398    314
    660.94   7.380    363
    656.75   7.334     88
    655.38   7.318     47
    654.63   7.310     55
    654.00   7.303     70
    652.13   7.282     52
    276.13   3.084   1000
    196.69   2.197    715
    182.25   2.035    806

in CDCl3