9-BENZYL-ANTHRACENE(1498-71-1) 1H NMR
Product Name9-BENZYL-ANTHRACENE
CAS1498-71-1
Molecular FormulaC21H16
Molecular Weight268.35
InChIInChI=1S/C21H16/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h1-13,15H,14H2
InChIKey OMKKTUHEEREHJB-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2CC2=CC=CC=C2)C=CC=C3)=CC=C1
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MassMS-IW-4939 9-benzylanthracene C21H16 (Mass of molecular ion: 268)
Source Temperature: 150 °C Sample Temperature: 130 °C Direct, 75 eV
113.0 1.6 114.0 1.1 118.5 1.7 119.0 1.1 119.5 2.8 120.0 2.0 125.0 1.2 126.0 7.3 126.5 4.2 130.5 1.1 131.0 1.1 131.5 4.6 132.0 2.5 132.5 4.3 133.0 5.9 133.5 2.1 134.0 6.6 134.5 1.5 165.0 2.7 176.0 1.7 187.0 1.0 189.0 8.8 190.0 3.8 191.0 25.8 192.0 4.1 215.0 1.1 237.0 1.0 239.0 2.9 250.0 1.0 252.0 9.8 253.0 7.7 254.0 1.5 263.0 4.4 264.0 1.5 265.0 14.9 266.0 6.5 267.0 28.0 268.0 100.0 269.0 22.4 270.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H16 0.020 g : 0.5 ml CDCl3 9-benzylanthracene 
Assign. Shift(ppm)
A 8.412 B 8.200 C 8.012 D *1 7.444 E *1 7.423 F 7.17 G 7.12 J 7.11 K 4.990
Hz ppm Int.3361.94 8.413 328 3285.89 8.222 41 3284.79 8.220 73 3283.94 8.218 69 3282.47 8.214 164 3281.62 8.212 232 3280.88 8.210 163 3279.42 8.206 138 3278.20 8.203 198 3275.27 8.196 204 3274.05 8.193 143 3272.46 8.189 170 3271.61 8.187 231 3268.68 8.179 53 3209.72 8.032 71 3206.54 8.024 267 3203.98 8.017 163 3203.13 8.015 259 3200.32 8.008 211 3198.97 8.005 154 3196.66 7.999 272 3193.73 7.992 49 2979.00 7.455 205 2975.83 7.447 1000 2972.53 7.438 698 2968.99 7.429 618 2965.82 7.422 929 2962.52 7.413 130 2878.17 7.202 84 2876.59 7.198 108 2875.00 7.194 59 2871.83 7.186 136 2870.00 7.182 269 2868.53 7.178 202 2866.46 7.173 76 2864.01 7.167 172 2862.55 7.163 327 2861.69 7.161 237 2860.23 7.157 73 2853.88 7.141 74 2852.17 7.137 133 2851.44 7.135 115 2850.83 7.134 129 2845.21 7.120 363 2844.36 7.118 410 2843.51 7.116 330 2842.65 7.113 356 2840.09 7.107 79 2839.36 7.105 92 2837.77 7.101 172 2837.04 7.099 183 2836.18 7.097 233 1994.51 4.991 639
in CDCl3
