1,10-菲羅啉(66-71-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,10-菲羅啉

CAS:66-71-7

分子式:C12H8N2

分子量: 180.21

InChI:InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

InChIKey: DGEZNRSVGBDHLK-UHFFFAOYSA-N

Smiles:N1C2C(=CC=C3C=2N=CC=C3)C=CC=1

Mass

MS-IW-3470          
1,10-phenanthroline
C12H8N2 H2O         (Mass of molecular ion:    180)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      39.0       1.0
      50.0       2.5
      51.0       2.1
      62.0       1.4
      63.0       5.6
      74.0       2.2
      75.0       3.0
      76.0       4.0
      76.5       5.3
      77.0       2.4
      90.0       9.0
      90.5       1.2
      99.0       1.8
     100.0       2.1
     101.0       1.7
     102.0       1.1
     125.0       3.8
     126.0       3.7
     127.0       4.9
     128.0       1.2
     129.0       2.3
     151.0       1.7
     152.0       6.0
     153.0       9.9
     154.0      12.8
     155.0       1.4
     179.0      30.4
     180.0     100.0
     181.0      13.9

parameter in CDCl3

¹H NMR	300 MHz
C₁₂ H₈ N₂	in CDCl₃
1,10-phenanthroline

    Parameter     ppm  Hz

      D(A)         8.20
      D(B)         7.58
      D(C)         9.18
       J(A,B)          8.1
       J(A,C)          1.8
       J(B,C)          4.3
     
      D(D)         8.22
     
     MARTIN,R.H. ET AL. TETRAHEDRON SUPPL. 8, 181 (1966)

     Hz     ppm     Int.

   2757.06   9.190    250
   2755.28   9.184    258
   2752.77   9.176    259
   2750.98   9.170    258
   2466.00   8.220   1000
   2463.25   8.211    258
   2456.94   8.190    267
   2455.16   8.184    263
   2280.09   7.600    257
   2275.80   7.586    254
   2272.02   7.573    237
   2267.72   7.559    231

in CDCl3