Dibenz[a,h]anthracene(53-70-3) IR2
Product NameDibenz[a,h]anthracene
CAS53-70-3
Molecular FormulaC22H14
Molecular Weight278.35
InChIInChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
InChIKey LHRCREOYAASXPZ-UHFFFAOYSA-N
SmilesC12=CC=CC=C1C=CC1C2=CC2C(=C3C=CC=CC3=CC=2)C=1
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MassMS-NW-0121 dibenz(a,H)anthracene C22H14 (Mass of molecular ion: 278)
Source Temperature: 0 °C Sample Temperature: 0 °C Direct, 75 eV
18.0 1.1 28.0 1.4 112.0 1.2 113.0 1.3 124.0 1.4 125.0 3.1 126.0 1.8 137.0 3.2 137.5 1.2 138.0 6.7 138.5 2.0 139.0 12.2 139.5 3.0 248.0 1.1 250.0 2.0 252.0 1.2 274.0 4.9 275.0 2.3 276.0 17.1 277.0 6.0 278.0 100.0 279.0 23.9 280.0 3.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C22 H14 saturated in CDCl3 dibenz(a,h)anthracene 
Assign. Shift(ppm)
A 9.155 B 8.875 C 7.962 D 7.918 E 7.763 F *1 7.722 G *1 7.653 J(B,F)=8.1HZ. J(C,E)=8.9HZ. J(D,G)=7.8HZ.
Hz ppm Int.3658.69 9.155 1000 3652.47 9.140 37 3651.86 9.138 30 3555.91 8.898 34 3555.42 8.897 36 3555.18 8.896 36 3554.69 8.895 34 3551.39 8.887 370 3546.88 8.875 53 3543.33 8.867 380 3540.04 8.858 63 3539.06 8.856 51 3537.60 8.852 32 3191.04 7.985 42 3187.13 7.975 550 3183.84 7.967 61 3182.98 7.965 65 3181.88 7.962 77 3178.22 7.953 700 3175.29 7.946 98 3174.56 7.944 103 3174.07 7.943 95 3173.22 7.940 74 3171.88 7.937 57 3169.19 7.930 370 3167.85 7.927 378 3165.28 7.921 107 3161.38 7.911 432 3160.03 7.907 440 3157.35 7.901 79 3155.15 7.895 51 3110.96 7.785 38 3110.35 7.783 41 3109.86 7.782 40 3106.57 7.774 654 3103.64 7.766 75 3103.15 7.765 67 3102.78 7.764 66 3101.68 7.761 73 3100.46 7.758 69 3100.22 7.758 69 3097.66 7.751 549 3094.85 7.744 271 3093.38 7.741 278 3091.43 7.736 74 3091.06 7.735 71 3090.09 7.732 58 3089.72 7.732 62 3087.77 7.727 371 3086.43 7.723 454 3085.21 7.720 294 3082.76 7.714 70 3082.52 7.714 70 3081.91 7.712 68 3079.71 7.707 352 3078.13 7.703 340 3075.44 7.696 55 3075.07 7.695 54 3074.10 7.692 47 3073.73 7.692 50 3073.12 7.690 42 3072.75 7.689 39 3070.92 7.685 39 3070.56 7.684 38 3070.19 7.683 39 3069.34 7.681 38 3065.43 7.671 400 3064.09 7.667 425 3061.28 7.660 54 3060.42 7.658 55 3058.23 7.653 350 3057.62 7.651 460 3056.40 7.648 413 3052.61 7.639 65 3050.54 7.634 248 3049.32 7.630 227 3047.49 7.626 35
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1H NMR 89.56 MHz C22 H14 0.008 g : 0.5 ml CDCl3 dibenz(a,h)anthracene Assign. Shift(ppm)
A 9.144 B 8.86 C 7.94 D 7.90 E 7.76 F 7.72 G 7.63
Hz ppm Int.819.06 9.146 937 799.06 8.923 195 798.50 8.916 191 797.94 8.910 146 796.38 8.893 193 793.06 8.856 125 792.50 8.849 122 790.31 8.825 221 789.75 8.819 248 789.44 8.815 244 717.88 8.016 294 716.81 8.004 118 713.50 7.967 203 711.63 7.946 188 709.00 7.917 748 707.38 7.899 323 706.94 7.894 311 704.25 7.864 401 700.25 7.819 152 698.00 7.794 730 695.88 7.770 130 693.31 7.742 460 691.06 7.717 326 690.13 7.706 556 689.00 7.694 335 687.06 7.672 1000 683.06 7.627 469 681.25 7.607 306
KBr disc
nujol mull
