3438-48-0

4-苯基嘧啶(3438-48-0)Raman光谱

产品名称:4-苯基嘧啶

CAS:3438-48-0

分子式:C10H8N2

分子量: 156.18

InChI:InChI=1S/C10H8N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-8H

InChIKey: MKLQPIYLZMLAER-UHFFFAOYSA-N

Smiles:C1=NC=CC(C2=CC=CC=C2)=N1

Mass

MS-NW-7110          
4-phenylpyrimidine
C10H8N2             (Mass of molecular ion:    156)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       7.6
      27.0       1.7
      28.0       4.6
      37.0       1.0
      38.0       1.7
      39.0       3.8
      49.0       1.0
      50.0       9.6
      51.0      13.5
      52.0       8.8
      53.0      11.0
      61.0       1.1
      62.0       2.1
      63.0       4.1
      64.0       1.2
      74.0       4.7
      75.0       6.1
      76.0      11.9
      77.0       9.0
      78.0       4.1
      79.0       1.9
     101.0       3.8
     102.0      43.1
     103.0      17.7
     104.0       5.1
     128.0       6.5
     129.0      59.1
     130.0       6.8
     149.0       1.2
     155.0       9.2
     156.0     100.0
     157.0      11.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₈ N₂	0.039 g : 0.5 ml CDCl₃
4-phenylpyrimidine

    Assign.     Shift(ppm)

      A             9.267
      B             8.746
      C             8.083
      D             7.697
      E          7.60 to 7.40
     
     J(A,D)=1.4HZ. J(B,D)=5.4HZ.

     Hz     ppm     Int.

    830.56   9.274    503
    829.44   9.262    473
    786.13   8.778    457
    780.81   8.719    502
    731.44   8.168     86
    729.25   8.143    400
    727.69   8.126    262
    726.25   8.110    353
    725.00   8.096    324
    723.56   8.080    364
    722.56   8.068    412
    720.81   8.049    296
    719.44   8.034    526
    715.31   7.987     91
    692.63   7.734    459
    691.19   7.718    452
    687.19   7.673    424
    685.81   7.658    414
    678.94   7.581    139
    676.69   7.556    342
    675.19   7.539   1000
    673.63   7.522    498
    671.94   7.503    896
    670.75   7.490    488
    670.00   7.482    394
    668.56   7.465    843
    667.38   7.452    231
    666.75   7.445    211
    666.31   7.440    202
    664.56   7.421    119

in CDCl3