2,2'-Biquinoline(119-91-5) IR3
Product Name2,2'-Biquinoline
CAS119-91-5
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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MassMS-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
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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
in CDCl3
CCl4 solution
KBr disc
nujol mull
