366-18-7

2,2'-聯(lián)吡啶(366-18-7)質(zhì)譜(MS)

產(chǎn)品名稱:2,2'-聯(lián)吡啶

CAS:366-18-7

分子式:C10H8N2

分子量: 156.18

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

InChIKey: ROFVEXUMMXZLPA-UHFFFAOYSA-N

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

Mass

MS-NW-1643          
2,2'-bipyridyl
C10H8N2             (Mass of molecular ion:    156)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      26.0       1.6
      27.0       2.5
      28.0       1.6
      38.0       1.0
      39.0       2.0
      50.0       6.8
      51.0      14.9
      52.0       7.2
      63.0       1.5
      64.0       1.8
      64.5       1.2
      74.0       1.4
      75.0       2.4
      76.0       3.3
      77.0       3.0
      78.0      17.5
      79.0       4.7
     101.0       1.8
     102.0       2.4
     103.0       3.0
     104.0       2.3
     105.0       1.0
     128.0      19.1
     129.0      17.8
     130.0       7.8
     155.0      34.0
     156.0     100.0
     157.0      11.3

parameter in CCl4

¹H NMR	300 MHz
C₁₀ H₈ N₂	20 mol% in CCl₄
2,2'-bipyridyl

    Parameter     ppm  Hz

      D(A)         8.587
      D(B)         7.124
      D(C)         7.658
      D(D)         8.496
       J(A,B)          4.75
       J(A,C)          1.80
       J(A,D)          1.00
       J(B,C)          7.53
       J(B,D)          1.16
       J(C,D)          8.01
     
     CASTELLANO,S. ET AL. J.PHYS.CHEM. 69, 4166 (1965)

     Hz     ppm     Int.

   2579.89   8.600    523
   2578.89   8.596    627
   2578.12   8.594    614
   2577.12   8.590    580
   2575.13   8.584    555
   2574.15   8.580    647
   2573.37   8.578    621
   2572.37   8.575    572
   2553.92   8.513    569
   2552.86   8.510    940
   2551.81   8.506    541
   2545.92   8.486    605
   2544.85   8.483   1000
   2543.81   8.479    576
   2306.10   7.687    473
   2304.30   7.681    471
   2298.48   7.662    709
   2296.71   7.656    713
   2290.56   7.635    491
   2288.77   7.629    482
   2143.81   7.146    536
   2142.67   7.142    538
   2139.08   7.130    538
   2137.92   7.126    552
   2136.29   7.121    521
   2135.14   7.117    501
   2131.55   7.105    482
   2130.39   7.101    475

in CDCl3