9-(Chloromethyl)anthracene(24463-19-2) IR2
Product Name9-(Chloromethyl)anthracene
CAS24463-19-2
Molecular FormulaC15H11Cl
Molecular Weight226.7
InChIInChI=1S/C15H11Cl/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10H2
InChIKey PCVRSXXPGXRVEZ-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2CCl)C=CC=C3)=CC=C1
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MassMS-NW-7186 9-(chloromethyl)anthracene C15H11Cl (Mass of molecular ion: 226)
Source Temperature: 140 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 2.4 63.0 2.2 69.5 1.7 74.0 1.2 75.0 1.1 81.0 1.3 81.5 3.9 82.0 1.9 82.5 8.3 83.0 1.3 87.0 1.1 93.5 3.7 94.0 5.2 94.5 14.9 95.0 9.8 95.5 9.4 96.0 2.0 113.0 4.4 113.5 1.0 114.0 1.5 139.0 1.3 152.0 1.2 163.0 3.7 164.0 1.6 165.0 4.9 176.0 1.1 187.0 4.3 188.0 3.5 189.0 25.2 190.0 9.2 191.0 100.0 192.0 19.4 193.0 2.0 225.0 2.1 226.0 26.0 227.0 5.3 228.0 9.1 229.0 1.6
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C15 H11 Cl 0.037 g : 0.5 ml CDCl3 9-(chloromethyl)anthracene 
Assign. Shift(ppm)
A 8.392 B 8.253 C 7.952 D *1 7.56 E *1 7.44 F 5.528
Hz ppm Int.751.63 8.393 242 745.06 8.320 119 744.25 8.311 168 742.81 8.294 193 741.94 8.285 162 740.25 8.266 54 739.69 8.260 54 737.56 8.236 119 735.75 8.216 171 734.38 8.200 238 733.44 8.190 153 730.88 8.161 48 729.63 8.147 38 720.94 8.050 31 717.69 8.014 169 716.69 8.003 152 716.06 7.996 135 714.94 7.983 114 714.25 7.976 106 710.25 7.931 262 708.50 7.911 199 707.88 7.904 251 704.50 7.867 37 703.31 7.853 50 685.44 7.654 106 683.69 7.634 152 682.25 7.618 57 682.13 7.617 57 678.94 7.581 337 677.13 7.561 264 675.13 7.539 136 673.31 7.518 316 671.25 7.495 551 668.56 7.465 274 666.81 7.446 142 665.25 7.428 214 663.88 7.413 227 660.88 7.380 41 658.69 7.355 97 657.31 7.340 79 495.13 5.529 1000 489.38 5.465 31
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1H NMR 399.65 MHz C15 H11 Cl 0.032 g : 0.5 ml CDCl3 9-(chloromethyl)anthracene Assign. Shift(ppm)
A 8.405 B 8.257 C 7.964 D 7.561 E 7.455 F 5.535 ASSIGNED BY C-H COSY.
Hz ppm Int.3359.01 8.405 260 3305.05 8.270 257 3304.20 8.268 273 3296.14 8.248 278 3295.29 8.246 289 3187.99 7.977 231 3187.26 7.976 272 3186.65 7.974 255 3179.44 7.956 254 3178.83 7.955 298 3178.22 7.953 274 3177.49 7.951 185 3030.64 7.584 168 3029.30 7.580 180 3024.17 7.568 229 3022.83 7.564 238 3021.85 7.562 194 3020.39 7.558 177 3015.26 7.545 218 3013.92 7.542 215 2986.69 7.474 202 2985.72 7.471 217 2980.10 7.457 163 2979.00 7.455 188 2978.27 7.453 216 2977.29 7.450 207 2971.68 7.436 143 2970.70 7.434 146 2212.28 5.536 1000
in CDCl3
KBr disc
nujol mull
