4-(Chloromethyl)biphenyl(1667-11-4) IR1
Product Name4-(Chloromethyl)biphenyl
CAS1667-11-4
Molecular FormulaC13H11Cl
Molecular Weight202.68
InChIInChI=1S/C13H11Cl/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKey HLQZCRVEEQKNMS-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CCl)C=C1
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MassMS-NW-7199 4-(chloromethyl)biphenyl C13H11Cl (Mass of molecular ion: 202)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
39.0 2.5 50.0 1.3 51.0 2.2 57.5 1.3 62.0 1.2 63.0 3.3 65.0 1.2 69.5 2.4 70.5 1.9 74.0 1.1 75.0 1.2 76.0 1.8 77.0 1.1 81.5 1.6 82.0 6.2 82.5 6.9 83.0 4.2 83.5 5.8 87.0 1.0 89.0 1.9 101.0 3.1 102.0 1.7 115.0 3.4 128.0 2.0 139.0 2.7 151.0 1.1 152.0 7.7 153.0 1.2 163.0 1.9 164.0 2.3 165.0 19.6 166.0 5.3 167.0 100.0 168.0 15.0 169.0 1.1 202.0 27.1 203.0 4.1 204.0 9.0 205.0 1.3
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C13 H11 Cl 0.045 g : 0.5 ml CDCl3 4-(chloromethyl)biphenyl 
Assign. Shift(ppm)
A 7.57 B 7.44 C 7.44 D 7.349 E 4.614
Hz ppm Int.3030.03 7.582 489 3029.30 7.580 532 3027.10 7.575 155 3023.44 7.566 416 3022.09 7.562 726 3021.48 7.561 789 3019.65 7.556 132 3017.09 7.550 66 3013.06 7.540 32 2979.98 7.457 137 2978.03 7.452 648 2977.66 7.451 619 2976.93 7.449 365 2975.10 7.445 145 2971.56 7.436 252 2969.60 7.431 810 2968.14 7.427 261 2963.38 7.415 136 2961.91 7.412 234 2959.72 7.406 52 2943.97 7.367 107 2942.63 7.364 193 2941.41 7.360 109 2937.38 7.350 78 2935.30 7.345 186 2933.11 7.340 59 2929.32 7.330 50 2927.98 7.327 83 2926.76 7.324 43 1843.99 4.615 1000 1842.41 4.611 320
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1H NMR 89.56 MHz C13 H11 Cl 0.035 g : 0.5 ml CDCl3 4-(chloromethyl)biphenyl Assign. Shift(ppm)
A 7.68 to 7.19 B 4.613
Hz ppm Int.683.44 7.632 201 682.56 7.622 166 681.13 7.606 169 680.69 7.601 166 679.19 7.584 133 678.31 7.574 170 677.13 7.561 246 674.88 7.536 714 673.69 7.523 668 671.00 7.493 312 669.25 7.473 767 666.56 7.443 391 665.63 7.433 359 663.44 7.408 245 662.94 7.403 289 661.00 7.381 312 660.13 7.371 364 659.06 7.359 187 658.38 7.352 303 655.63 7.321 121 654.06 7.304 70 413.19 4.614 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
