119-91-5

2,2'-Biquinoline(119-91-5) IR3

Product Name2,2'-Biquinoline

CAS 119-91-5

Molecular FormulaC18H12N2

Molecular Weight256.3

InChIInChI=1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H

InChIKey WPTCSQBWLUUYDV-UHFFFAOYSA-N

SmilesN1C2C(=CC=CC=2)C=CC=1C1C=CC2C(N=1)=CC=CC=2

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2,2'-Biquinoline(119-91-5) IR3
Mass

MS-NW-2089          
2,2'-biquinoline
C18H12N2            (Mass of molecular ion:    256)

   Source Temperature: 190 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       2.4
      28.0       1.0
      50.0       1.3
      51.0       2.0
      75.0       2.3
      76.0       1.7
      77.0       2.3
     101.0       4.6
     102.0       3.6
     114.0       1.4
     127.0       1.7
     127.5       1.4
     128.0      12.4
     128.5       1.2
     129.0       1.9
     154.0       1.1
     227.0       1.3
     228.0       1.7
     229.0       1.0
     253.0       1.4
     254.0       1.9
     255.0      40.3
     256.0     100.0
     257.0      19.6
     258.0       1.9

parameter in CS2

2,2'-Biquinoline(119-91-5) IR3

¹H NMR	300 MHz
C₁₈ H₁₂ N₂	0.082 M in CS₂
2,2'-biquinoline

    Parameter     ppm  Hz

      D(A)         8.794
      D(B)         8.164
      D(C)         7.750
      D(D)         7.453
      D(E)         7.620
      D(F)         8.073
       J(A,B)          8.69
       J(A,C)          0.0
       J(A,D)          0.0
       J(A,E)          0.0
       J(A,F)          0.0
       J(B,C)          0.15
       J(B,D)          0.0
       J(B,E)          0.0
       J(B,F)          0.75
       J(C,D)          8.09
       J(C,E)          1.37
       J(C,F)          0.60
       J(D,E)          6.83
       J(D,F)          1.20
       J(E,F)          8.38
     
     DRAKE,J.A.G. & JONES,D.W. ORG.MAGN.RESON. 18, 42 1982

     Hz     ppm     Int.

   2642.65   8.809    913
   2633.96   8.780   1000
   2453.78   8.179    579
   2453.12   8.177    596
   2445.09   8.150    525
   2444.43   8.148    549
   2426.75   8.089    333
   2426.21   8.087    363
   2425.67   8.086    335
   2418.40   8.061    376
   2417.86   8.060    409
   2417.32   8.058    379
   2329.66   7.766    319
   2328.79   7.763    333
   2321.62   7.739    381
   2320.74   7.736    403
   2294.38   7.648    242
   2292.98   7.643    238
   2287.56   7.625    336
   2286.12   7.620    484
   2284.65   7.615    225
   2279.22   7.597    291
   2277.81   7.593    264
   2243.53   7.478    325
   2242.30   7.474    326
   2236.69   7.456    275
   2235.49   7.452    507
   2234.29   7.448    293
   2228.67   7.429    211
   2227.45   7.425    206

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