4-Chlorobiphenyl(2051-62-9) Raman
Product Name4-Chlorobiphenyl
CAS2051-62-9
Molecular FormulaC12H9Cl
Molecular Weight188.65
InChIInChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChIKey FPWNLURCHDRMHC-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(Cl)C=C1
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MassMS-NW-4481 4-chlorobiphenyl C12H9Cl (Mass of molecular ion: 188)
Source Temperature: 230 °C Sample Temperature: 180 °C Reservoir, 75 eV
39.0 1.7 50.0 3.1 51.0 4.1 62.0 1.7 63.0 6.3 74.0 2.6 75.0 5.0 75.5 1.8 76.0 14.4 76.5 2.5 77.0 2.7 81.0 1.4 87.0 1.1 94.0 4.4 95.0 1.4 99.0 1.1 101.0 1.5 102.0 1.5 125.0 1.2 126.0 3.0 127.0 3.5 149.0 1.4 150.0 3.3 151.0 9.7 152.0 36.8 153.0 20.4 154.0 2.5 162.0 1.0 188.0 100.0 189.0 13.6 190.0 33.3 191.0 4.4
90 MHz in CDCl3
parameter in CDCl3
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1H NMR 89.56 MHz C12 H9 Cl 0.044 g : 0.5 ml CDCl3 4-chlorobiphenyl 
Assign. Shift(ppm)
A 7.65 to 7.26
Hz ppm Int.680.50 7.599 65 679.19 7.584 72 678.50 7.576 80 676.56 7.555 203 675.63 7.544 206 675.06 7.538 235 673.81 7.524 153 673.13 7.516 180 672.00 7.504 381 670.19 7.484 495 669.38 7.475 273 667.69 7.456 1000 666.13 7.438 366 664.94 7.425 460 663.81 7.412 851 663.44 7.408 880 662.00 7.392 358 660.88 7.380 187 660.06 7.371 225 658.94 7.358 330 657.13 7.338 291 655.38 7.318 163 654.63 7.310 235 653.19 7.294 88 652.13 7.282 40
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1H NMR 300 MHz C12 H9 Cl 1.86 mol% in CDCl3 4-chlorobiphenyl Parameter ppm Hz
D(A) 7.486 D(B) 7.379 J(A,A') 2.34 J(A,B) 8.35 J(A,B') 0.43 J(A',B) 0.43 J(A',B') 8.35 J(B,B') 2.34 D(C) 7.525 D(D) 7.411 D(E) 7.332 J(C,C') 2.07 J(C,D) 7.82 J(C,D') 0.57 J(C,E) 1.20 J(C',D) 0.57 J(C',D') 7.82 J(C',E) 1.20 J(D,D') 1.40 J(D,E) 7.46 J(D',E) 7.46 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2262.82 7.543 255 2261.33 7.538 399 2259.27 7.531 121 2255.86 7.520 235 2255.35 7.518 247 2254.40 7.515 477 2253.19 7.511 502 2250.74 7.502 531 2248.62 7.495 204 2244.17 7.481 258 2241.99 7.473 842 2239.61 7.465 130 2231.87 7.440 161 2230.61 7.435 256 2228.77 7.429 99 2223.58 7.412 535 2221.99 7.407 260 2219.90 7.400 150 2217.50 7.392 1000 2216.02 7.387 409 2215.40 7.385 475 2213.80 7.379 79 2210.89 7.370 203 2208.78 7.363 490 2207.04 7.357 176 2205.65 7.352 274 2204.25 7.347 140 2200.84 7.336 86 2198.42 7.328 244 2195.79 7.319 56 2192.52 7.308 47 2191.19 7.304 77 2189.87 7.300 40
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
