4,4'-Dimethylbiphenyl(613-33-2) MS
Product Name4,4'-Dimethylbiphenyl
CAS613-33-2
Molecular FormulaC14H14
Molecular Weight182.26
InChIInChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey RZTDESRVPFKCBH-UHFFFAOYSA-N
SmilesC1(C2=CC=C(C)C=C2)=CC=C(C)C=C1
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MassMS-NW-4599 4,4'-dimethylbiphenyl C14H14 (Mass of molecular ion: 182)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
39.0 2.5 51.0 1.8 63.0 2.5 64.0 1.1 65.0 1.8 76.0 2.8 77.0 2.2 82.0 1.0 82.5 1.3 83.0 1.3 89.0 4.9 90.0 5.5 91.0 5.5 115.0 3.6 127.0 1.0 128.0 2.3 139.0 1.6 141.0 2.1 151.0 1.1 152.0 6.1 153.0 2.4 164.0 1.2 165.0 21.9 166.0 10.9 167.0 35.3 168.0 5.1 178.0 2.8 179.0 2.3 180.0 1.7 181.0 26.5 182.0 100.0 183.0 15.0 184.0 1.1
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C14 H14 0.047 g : 0.5 ml CDCl3 4,4'-dimethylbiphenyl 
Assign. Shift(ppm)
A 7.45 B 7.21 C 2.36
Hz ppm Int.672.56 7.510 210 670.63 7.489 85 666.31 7.440 111 664.25 7.417 449 662.56 7.398 93 649.06 7.248 312 648.56 7.242 331 642.69 7.177 63 640.69 7.154 195 640.00 7.147 139 211.56 2.363 1000
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1H NMR 399.65 MHz C14 H14 0.034 g : 0.5 ml CDCl3 4,4'-dimethylbiphenyl Assign. Shift(ppm)
A 7.466 B 7.220 C 2.372
Hz ppm Int.2990.36 7.483 65 2988.28 7.478 352 2986.45 7.473 132 2982.06 7.462 147 2980.10 7.457 411 2978.03 7.452 69 2891.48 7.236 62 2889.40 7.230 285 2888.92 7.229 321 2886.84 7.224 105 2883.06 7.214 100 2880.98 7.209 282 2880.37 7.208 231 2878.42 7.203 45 948.00 2.373 1000
in CDCl3
KBr disc
nujol mull
CATION RADICAL, OXIDATION WITH SBCL5
ANION RADICAL, REDUCTION WITH K METAL IN DME
ANION RADICAL, REDUCTION WITH K METAL IN THF
