Acridine(260-94-6) MS
Molecular FormulaC13H9N
Molecular Weight179.22
InChIInChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKey DZBUGLKDJFMEHC-UHFFFAOYSA-N
SmilesC1C2C(=NC3C(C=2)=CC=CC=3)C=CC=1
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MassMS-NW-0139 acridine C13H9N (Mass of molecular ion: 179)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.1 50.0 1.4 51.0 1.6 62.0 1.0 63.0 2.5 74.0 1.4 75.0 2.6 75.5 1.0 76.0 3.3 89.0 6.0 89.5 5.5 125.0 1.2 126.0 1.9 127.0 1.5 150.0 2.8 151.0 7.0 152.0 6.6 153.0 3.5 176.0 1.1 177.0 6.3 178.0 17.7 179.0 100.0 180.0 14.8 181.0 1.0
parameter in CDCl3
90 MHz in CDCl3
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1H NMR 300 MHz C13 H9 N 0.7 M in CDCl3 acridine 
Parameter ppm Hz
D(A) 7.856 D(B) 7.434 D(C) 7.711 D(D) 8.217 D(E) 8.59 J(A,A') 0. J(A,B) 8.41 J(A,B') 0. J(A,C) 1.46 J(A,C') 0. J(A,D) 0.79 J(A,D') 0. J(A,E) -0.50 J(A',B) 0. J(A',B') 8.41 J(A',C) 0. J(A',C') 1.46 J(A',D) 0. J(A',D') 0.79 J(A',E) -0.50 J(B,B') 0. J(B,C) 6.66 J(B,C') 0. J(B,D) 1.10 J(B,D') 0. J(B,E) 0.30 J(B',C) 0. J(B',C') 6.66 J(B',D) 0. J(B',D') 1.10 J(B',E) 0.30 J(C,C') 0. J(C,D) 8.92 J(C,D') 0. J(C,E) -0.15 J(C',D) 0. J(C',D') 8.92 J(C',E) -0.15 J(D,D') 0. J(D,E) 0.88 J(D',E) 0.88 SCIACOVELLI,O. & VON PHILIPSBORN,W. ORG.MAGN.RESON. 3, 339 (1971)
Hz ppm Int.2576.99 8.590 961 2470.14 8.234 883 2469.23 8.231 891 2461.24 8.204 993 2460.32 8.201 1000 2361.78 7.873 674 2361.14 7.870 778 2360.51 7.868 704 2353.39 7.845 768 2352.75 7.842 889 2352.12 7.840 813 2321.81 7.739 585 2320.35 7.734 568 2315.15 7.717 718 2313.66 7.712 751 2312.96 7.710 657 2311.45 7.705 523 2306.25 7.688 627 2304.78 7.683 578 2237.97 7.460 645 2236.94 7.456 648 2231.30 7.438 587 2229.85 7.433 789 2228.56 7.429 599 2222.93 7.410 480 2221.90 7.406 477
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1H NMR 89.56 MHz C13 H9 N 0.012 g : 0.5 ml CDCl3 acridine Assign. Shift(ppm)
A 8.760 B 8.247 C 7.985 D 7.780 E 7.535
Hz ppm Int.775.50 8.660 902 770.75 8.606 59 742.06 8.286 661 738.00 8.241 106 733.31 8.188 1000 732.31 8.177 947 713.94 7.972 578 713.13 7.963 589 705.75 7.881 863 704.50 7.867 933 701.50 7.833 569 699.94 7.816 540 698.19 7.796 149 694.88 7.759 895 693.25 7.741 729 691.19 7.718 364 686.25 7.663 657 684.56 7.644 468 682.38 7.620 77 681.94 7.615 77 681.44 7.609 78 681.13 7.606 80 676.38 7.553 772 675.19 7.539 729 669.75 7.479 544 668.31 7.463 775 667.00 7.448 509 664.00 7.415 97 661.56 7.387 344 660.38 7.374 296
in CDCl3
KBr disc
nujol mull
ANION RADICAL, ELECTROCHEMICAL REDUCTION IN PYRIDINE
ANION RADICAL, REDUCTION WITH K-METAL AT RT
