2-Chloroanthracene(17135-78-3) MS
Product Name2-Chloroanthracene
CAS17135-78-3
Molecular FormulaC14H9Cl
Molecular Weight212.67
InChIInChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey OWFINXQLBMJDJQ-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2)C=CC=C3)=CC=C1Cl
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MassMS-NW-7149 2-chloroanthracene C14H9Cl (Mass of molecular ion: 212)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
45.0 1.1 50.0 1.4 51.0 1.3 62.0 2.2 63.0 2.0 74.0 3.1 75.0 6.2 75.5 1.4 76.0 1.6 86.0 1.2 87.0 3.6 87.5 1.9 88.0 13.0 88.5 3.3 93.0 2.8 94.0 1.1 98.0 1.7 99.0 1.5 106.0 9.6 106.5 1.8 107.0 3.3 126.0 1.5 149.0 1.7 150.0 6.0 151.0 7.7 152.0 1.6 174.0 4.1 175.0 5.0 176.0 26.6 177.0 13.0 178.0 3.6 211.0 1.0 212.0 100.0 213.0 16.0 214.0 33.4 215.0 5.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H9 Cl saturated in CDCl3 2-chloroanthracene 
Assign. Shift(ppm)
A *1 8.387 B *1 8.307 C 7.98 D 7.97 E 7.929 F *2 7.49 G *2 7.47 J 7.373
Hz ppm Int.3352.05 8.388 634 3319.82 8.307 641 3206.18 8.023 30 3204.47 8.019 43 3203.49 8.016 40 3202.03 8.013 48 3201.17 8.010 48 3193.60 7.991 552 3189.94 7.982 333 3188.72 7.979 387 3187.38 7.976 373 3183.96 7.967 1000 3182.98 7.965 751 3177.86 7.952 68 3177.49 7.951 67 3176.39 7.948 68 3173.10 7.940 439 3172.49 7.939 430 3168.95 7.930 34 3168.09 7.928 36 3164.18 7.918 430 3163.57 7.916 434 3004.76 7.519 36 3004.52 7.518 36 3003.66 7.516 38 3002.69 7.514 33 3000.49 7.508 72 2998.29 7.503 139 2993.90 7.492 526 2992.80 7.489 560 2991.94 7.487 336 2990.36 7.483 209 2988.53 7.478 467 2986.45 7.473 197 2984.99 7.470 313 2984.01 7.467 500 2983.15 7.465 489 2978.64 7.454 118 2976.56 7.448 60 2956.05 7.397 30 2952.15 7.387 433 2950.20 7.382 413 2943.24 7.365 385 2941.16 7.360 384
in CDCl3
KBr disc
nujol mull
