1,6-NAPHTHYRIDINE(253-72-5) MS
Product Name1,6-NAPHTHYRIDINE
CAS253-72-5
Molecular FormulaC8H6N2
Molecular Weight130.15
InChIInChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
InChIKey VSOSXKMEQPYESP-UHFFFAOYSA-N
SmilesN1C2C(=CN=CC=2)C=CC=1
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MassMS-NW-2228 1,6-naphthyridine C8H6N2 (Mass of molecular ion: 130)
Source Temperature: 280 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 3.6 26.0 1.4 28.0 1.4 37.0 1.8 38.0 3.1 39.0 3.1 49.0 1.3 50.0 12.1 51.0 5.8 52.0 4.7 62.0 1.3 63.0 4.6 64.0 1.6 65.0 3.0 74.0 3.7 75.0 7.6 76.0 16.3 77.0 5.2 78.0 1.4 79.0 11.2 90.0 1.5 102.0 4.1 103.0 23.8 104.0 13.4 129.0 19.7 130.0 100.0 131.0 9.2
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C8 H6 N2 1 M in CDCl3 1,6-naphthyridine 
Parameter ppm Hz
D(A) 9.10 D(B) 7.52 D(C) 8.28 D(D) 9.28 D(E) 8.76 D(F) 7.93 J(A,B) 4.1 J(A,C) 1.9 J(A,D) 0.0 J(A,E) 0.0 J(A,F) 0.0 J(B,C) 8.2 J(B,D) 0.0 J(B,E) 0.0 J(B,F) 0.0 J(C,D) 0.0 J(C,E) 0.0 J(C,F) 0.9 J(D,E) 0.0 J(D,F) 0.9 J(E,F) 6.0 PAUDLER,W.W. & KRESS,T.J. CHEM. & IND. 1966, 1557
Hz ppm Int.2784.43 9.281 997 2783.59 9.279 1000 2733.01 9.110 447 2731.13 9.104 464 2728.91 9.096 465 2727.03 9.090 461 2631.03 8.770 848 2625.05 8.750 889 2489.56 8.299 253 2488.68 8.296 277 2487.67 8.292 273 2486.81 8.289 255 2481.36 8.271 273 2480.48 8.268 299 2479.47 8.265 292 2478.61 8.262 272 2382.83 7.943 306 2381.99 7.940 512 2381.11 7.937 301 2376.82 7.923 294 2375.98 7.920 488 2375.11 7.917 285 2262.07 7.540 457 2257.97 7.527 452 2253.89 7.513 429 2249.79 7.499 418
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1H NMR 89.56 MHz C8 H6 N2 0.02 ml : 0.5 ml CDCl3 1,6-naphthyridine Assign. Shift(ppm)
A 9.277 B 9.091 C 8.761 D 8.285 E 7.931 F 7.533
Hz ppm Int.831.25 9.282 992 830.50 9.274 1000 817.50 9.128 590 815.75 9.109 650 813.25 9.081 656 811.50 9.061 676 787.88 8.798 842 781.94 8.731 990 748.06 8.353 400 747.19 8.343 437 746.25 8.333 419 745.38 8.323 406 739.75 8.260 517 738.88 8.251 564 737.94 8.240 524 737.13 8.231 498 714.00 7.973 499 713.19 7.964 800 712.25 7.953 461 708.06 7.906 446 707.19 7.897 705 706.38 7.888 405 680.44 7.598 744 676.19 7.551 716 672.19 7.506 600 667.94 7.459 565
in CDCl3
liquid film
ANION RADICAL, REDUCTION WITH K IN DME
