Phenazine(92-82-0) ESR
Molecular FormulaC12H8N2
Molecular Weight180.21
InChIInChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKey PCNDJXKNXGMECE-UHFFFAOYSA-N
SmilesC1C2C(=NC3C(N=2)=CC=CC=3)C=CC=1
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MassMS-NW-0113 phenazine C12H8N2 (Mass of molecular ion: 180)
Source Temperature: 140 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.1 50.0 5.6 51.0 2.5 52.0 1.9 63.0 2.0 74.0 1.2 75.0 2.4 76.0 4.5 77.0 1.7 90.0 5.1 102.0 2.1 103.0 1.9 126.0 1.2 127.0 1.4 128.0 1.2 129.0 1.5 152.0 2.7 153.0 4.1 154.0 2.7 179.0 19.2 180.0 100.0 181.0 13.7
90 MHz in CDCl3
parameter in cyclohexane
parameter in CDCl3
parameter in acetone-d6
400 MHz in CDCl3
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1H NMR 89.56 MHz C12 H8 N2 0.015 g : 0.5 ml CDCl3 phenazine 
Assign. Shift(ppm)
A 8.249 B 7.834 CALCULATED BY LAOCN PROGRAM.
Hz ppm Int.748.31 8.356 51 746.88 8.340 80 744.44 8.313 645 741.06 8.275 786 738.13 8.242 481 737.38 8.234 551 734.19 8.198 1000 731.56 8.169 205 730.81 8.161 171 709.75 7.925 136 709.00 7.917 169 706.19 7.886 1000 704.31 7.865 64 703.19 7.852 511 702.50 7.844 514 699.56 7.812 773 697.38 7.787 44 696.13 7.773 658 693.69 7.746 91 692.31 7.731 66
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1H NMR 300 MHz C12 H8 N2 0.05 M in cyclohexane phenazine Parameter ppm Hz
D(A) 8.158 D(B) 7.636 J(A,A') 0.38 J(A,B) 8.92 J(A,B') 1.43 J(A',B) 1.43 J(A',B') 8.92 J(B,B') 6.35 ANGERMAN,N.S. & DANYLUK,S.S. ORG.MAGN.RESON. 4, 895 (1972)
Hz ppm Int.2455.91 8.186 104 2455.28 8.184 119 2452.71 8.176 879 2449.27 8.164 767 2445.80 8.153 744 2442.36 8.141 1000 2439.67 8.132 151 2298.53 7.662 151 2295.85 7.653 1000 2292.41 7.641 741 2288.94 7.630 768 2285.50 7.618 877 2282.92 7.610 119 2282.29 7.608 104
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1H NMR 300 MHz C12 H8 N2 0.05 M in DMSO-d6 phenazine Parameter ppm Hz
D(A) 8.262 D(B) 7.971 J(A,A') 0.36 J(A,B) 8.90 J(A,B') 1.41 J(A',B) 1.41 J(A',B') 8.90 J(B,B') 6.37 ANGERMAN,N.S. & DANYLUK,S.S. ORG.MAGN.RESON. 4, 895 (1972)
Hz ppm Int.2486.58 8.289 127 2483.99 8.280 795 2480.56 8.269 735 2477.11 8.257 733 2473.68 8.246 1000 2470.83 8.236 196 2399.07 7.997 196 2396.23 7.987 1000 2392.80 7.976 733 2389.34 7.964 735 2385.91 7.953 795 2383.31 7.944 127
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1H NMR 300 MHz C12 H8 N2 0.05 M in acetone-d6 phenazine Parameter ppm Hz
D(A) 8.166 D(B) 7.695 J(A,A') 0.35 J(A,B) 8.91 J(A,B') 1.42 J(A',B) 1.42 J(A',B') 8.91 J(B,B') 6.38 ANGERMAN,N.S. & DANYLUK,S.S. ORG.MAGN.RESON. 4, 895 (1972)
Hz ppm Int.2458.31 8.194 104 2457.75 8.192 117 2455.11 8.184 867 2451.67 8.172 765 2448.22 8.161 743 2444.78 8.149 1000 2442.02 8.140 156 2316.29 7.721 156 2313.52 7.712 998 2310.09 7.700 743 2306.63 7.689 765 2303.19 7.677 865 2300.56 7.669 117 2299.99 7.667 105
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1H NMR 399.65 MHz C12 H8 N2 0.015 g : 0.5 ml CDCl3 phenazine Assign. Shift(ppm)
A 8.256 B 7.848
Hz ppm Int.3308.59 8.279 66 3307.37 8.276 103 3304.81 8.270 921 3301.39 8.261 658 3299.68 8.257 101 3297.97 8.253 555 3294.56 8.244 959 3291.99 8.238 149 3290.77 8.235 116 3285.64 8.222 25 3145.39 7.871 93 3144.29 7.868 121 3141.60 7.861 951 3139.77 7.857 98 3138.18 7.853 569 3134.89 7.845 685 3131.47 7.836 1000 3128.91 7.830 123 3127.69 7.827 94 3123.90 7.817 22
in CDCl3
CCl4 solution
KBr disc
nujol mull
ANION RADICAL, ELECTROREDUCTION IN CH3CN
ANION RADICAL, REDUCTION WITH ALKALI METAL
