Anthracene-9-carboxylic acid(723-62-6) MS
Product NameAnthracene-9-carboxylic acid
CAS723-62-6
Molecular FormulaC15H10O2
Molecular Weight222.24
InChIInChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChIKey XGWFJBFNAQHLEF-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2C(O)=O)C=CC=C3)=CC=C1
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MassMS-NW-2404 9-anthracenecarboxylic acid C15H10O2 (Mass of molecular ion: 222)
Source Temperature: 240 °C Sample Temperature: 140 °C Direct, 75 eV
17.0 1.5 18.0 7.9 28.0 2.4 39.0 1.2 44.0 10.7 50.0 1.4 51.0 1.6 62.0 1.6 63.0 3.1 74.0 2.6 75.0 4.9 76.0 6.9 77.0 1.0 82.0 2.1 82.5 1.9 83.0 1.1 86.0 1.1 87.0 2.7 87.5 1.1 88.0 10.4 88.5 3.1 89.0 7.8 89.5 1.0 97.0 2.0 98.0 1.5 99.0 1.1 111.0 2.1 126.0 1.6 139.0 1.4 149.0 1.0 150.0 5.1 151.0 8.6 152.0 5.8 163.0 1.4 164.0 1.0 165.0 7.8 166.0 2.4 174.0 2.2 175.0 3.5 176.0 23.7 177.0 24.6 178.0 100.0 179.0 14.9 180.0 1.1 194.0 4.6 205.0 15.4 206.0 2.8 212.0 2.3 221.0 1.6 222.0 54.3 223.0 8.9 256.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H10 O2 0.019 g : 0.5 ml DMSO-d6 9-anthracenecarboxylic acid 
Assign. Shift(ppm)
A 13.98 B 8.737 C 8.166 D 8.084 E 7.645 F 7.589
Hz ppm Int.5585.48 13.976 59 3497.93 8.753 31 3497.56 8.752 35 3491.70 8.737 942 3274.28 8.193 47 3273.73 8.192 53 3273.37 8.191 58 3272.27 8.188 71 3271.35 8.186 89 3268.06 8.178 899 3263.29 8.166 110 3260.18 8.158 880 3259.63 8.157 964 3258.90 8.155 877 3254.69 8.144 58 3253.77 8.142 49 3252.85 8.140 43 3252.49 8.139 42 3251.94 8.137 37 3251.39 8.136 36 3250.47 8.134 34 3249.92 8.132 35 3249.37 8.131 36 3248.64 8.129 39 3248.27 8.128 38 3247.91 8.127 41 3247.36 8.126 38 3246.81 8.125 38 3246.44 8.124 37 3245.71 8.122 37 3245.16 8.121 34 3244.79 8.120 32 3244.25 8.118 31 3243.70 8.117 32 3243.15 8.115 36 3242.60 8.114 39 3241.68 8.112 44 3239.85 8.107 65 3235.27 8.096 834 3234.54 8.094 897 3229.96 8.082 99 3226.66 8.074 945 3225.75 8.072 1000 3221.17 8.060 45 3071.70 7.686 30 3071.15 7.685 34 3070.79 7.684 32 3069.69 7.681 37 3069.14 7.680 40 3068.77 7.679 39 3068.41 7.678 38 3067.67 7.676 47 3064.38 7.668 447 3063.09 7.665 538 3057.96 7.652 795 3056.50 7.648 835 3054.30 7.643 495 3051.74 7.637 112 3051.19 7.635 111 3049.17 7.630 769 3047.89 7.627 732 3045.14 7.620 95 3044.23 7.618 85 3043.68 7.616 93 3042.58 7.614 89 3039.83 7.607 695 3038.73 7.604 797 3033.24 7.590 479 3031.59 7.586 796 3030.49 7.583 744 3024.99 7.570 428 3023.90 7.567 421 3020.60 7.559 39 3019.87 7.557 33 3019.50 7.556 30 3019.13 7.555 31
in DMSO-d6
KBr disc
nujol mull
