4-Phenyltoluene(644-08-6) ESR
Product Name4-Phenyltoluene
CAS644-08-6
Molecular FormulaC13H12
Molecular Weight168.23
InChIInChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey ZZLCFHIKESPLTH-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(C)C=C1
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 13.5 mg : 0.5 ml CDCl3 4-methylbiphenyl 
Assign. Shift(ppm)
A 7.576 B 7.493 C 7.422 D 7.323 E 7.249 F 2.392
Hz ppm Int.3033.33 7.590 216 3031.98 7.587 278 3030.03 7.582 83 3026.73 7.574 105 3026.00 7.572 147 3024.90 7.569 315 3024.17 7.568 245 3023.68 7.566 263 3021.73 7.561 54 3001.34 7.510 40 2999.15 7.505 300 2997.31 7.500 113 2992.92 7.489 117 2990.97 7.484 373 2989.01 7.480 69 2975.59 7.446 50 2974.49 7.443 131 2973.88 7.442 178 2972.05 7.437 72 2966.55 7.423 335 2965.33 7.420 151 2960.33 7.408 94 2958.74 7.404 194 2956.79 7.399 42 2933.84 7.342 72 2932.62 7.338 136 2931.27 7.335 75 2927.12 7.325 57 2925.29 7.320 154 2923.22 7.315 53 2919.19 7.305 44 2917.85 7.302 72 2916.63 7.298 41 2903.32 7.265 40 2901.37 7.260 254 2900.76 7.259 280 2898.68 7.254 87 2894.90 7.244 84 2892.94 7.239 249 2892.21 7.237 197 2890.14 7.232 48 955.93 2.392 1000
in CDCl3
KBr disc
nujol mull
ANION RADICAL, REDUCTION WITH K METAL IN DME
