Biphenyl(92-52-4) IR2
Molecular FormulaC12H10
Molecular Weight154.21
InChIInChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
InChIKey ZUOUZKKEUPVFJK-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=CC=C1
-
MassMS-NW-6147 biphenyl C12H10 (Mass of molecular ion: 154)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
39.0 2.0 50.0 2.3 51.0 4.8 52.0 1.1 62.0 1.1 63.0 3.7 64.0 4.0 74.0 1.7 75.0 2.1 75.5 1.1 76.0 10.3 76.5 2.0 77.0 5.7 89.0 1.1 102.0 2.2 115.0 3.5 126.0 1.9 127.0 2.2 128.0 3.3 139.0 1.5 150.0 1.5 151.0 5.1 152.0 18.2 153.0 29.7 154.0 100.0 155.0 13.1
parameter in TMS
parameter in CS2
parameter in CDCl3
400 MHz in CDCl3
-
1H NMR 300 MHz C12 H10 5 % in TMS biphenyl 
Parameter ppm Hz
D(A) 7.436 D(B) 7.260 D(C) 7.169 J(A,A') 2.01 J(A,B) 7.84 J(A,B') 0.64 J(A,C) 1.28 J(A',B) 0.64 J(A',B') 7.84 J(A',C) 1.28 J(B,B') 1.47 J(B,C) 7.45 J(B',C) 7.45 MAYO,R.E. & GOLDSTEIN,J.H. MOL.PHYS. 10, 301 (1966)
Hz ppm Int.2236.02 7.453 556 2234.52 7.448 807 2232.42 7.441 232 2228.44 7.428 437 2227.51 7.425 840 2226.25 7.421 755 2224.14 7.414 117 2186.63 7.289 283 2185.50 7.285 472 2183.67 7.279 179 2178.38 7.261 1000 2176.82 7.256 492 2172.23 7.241 297 2170.72 7.236 531 2168.54 7.228 99 2158.37 7.195 241 2156.97 7.190 444 2155.57 7.185 238 2151.99 7.173 156 2149.62 7.165 433 2147.20 7.157 114 2143.74 7.146 93 2142.38 7.141 155 2141.03 7.137 81
-
1H NMR 300 MHz C12 H10 5 mol% in CS2 biphenyl Parameter ppm Hz
D(A) 7.420 D(B) 7.277 D(C) 7.185 J(A,A') 1.99 J(A,B) 7.82 J(A,B') 0.60 J(A,C) 1.22 J(A',B) 0.60 J(A',B') 7.82 J(A',C) 1.22 J(B,B') 1.45 J(B,C) 7.49 J(B',C) 7.49 KAMEZAWA,N. J.MAGN.RESON. 11, 88 (1973)
Hz ppm Int.2231.23 7.437 526 2229.78 7.433 778 2227.73 7.426 226 2223.76 7.413 452 2222.78 7.409 853 2221.59 7.405 788 2219.47 7.398 123 2191.64 7.305 295 2190.54 7.302 487 2188.73 7.296 180 2183.39 7.278 1000 2181.87 7.273 480 2177.22 7.257 289 2175.76 7.253 523 2173.59 7.245 95 2163.15 7.210 242 2161.79 7.206 440 2160.44 7.201 236 2156.74 7.189 155 2154.43 7.181 445 2152.05 7.173 114 2148.47 7.162 93 2147.16 7.157 155 2145.85 7.153 81
-
1H NMR 300 MHz C12 H10 2.05 mol% in CDCl3 biphenyl Parameter ppm Hz
D(A) 7.577 D(B) 7.414 D(C) 7.321 J(A,A') 2.03 J(A,B) 7.79 J(A,B') 0.59 J(A,C) 1.24 J(A',B) 0.59 J(A',B') 7.79 J(A',C) 1.24 J(B,B') 1.39 J(B,C) 7.45 J(B',C) 7.45 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)
Hz ppm Int.2278.27 7.594 543 2276.81 7.589 813 2274.78 7.583 233 2270.76 7.569 450 2269.87 7.566 835 2268.65 7.562 786 2266.54 7.555 122 2232.74 7.442 296 2231.64 7.439 467 2229.87 7.433 183 2224.56 7.415 1000 2223.03 7.410 495 2218.38 7.395 298 2216.91 7.390 553 2214.77 7.383 100 2203.95 7.346 243 2202.59 7.342 445 2201.23 7.337 239 2197.55 7.325 158 2195.24 7.317 446 2192.89 7.310 117 2189.32 7.298 95 2188.00 7.293 159 2186.69 7.289 83
-
1H NMR 399.65 MHz C12 H10 14.5 mg : 0.5 ml CDCl3 biphenyl Assign. Shift(ppm)
A 7.593 B 7.436 C 7.346
Hz ppm Int.3039.92 7.607 664 3038.57 7.604 856 3036.50 7.598 251 3033.20 7.590 328 3032.59 7.589 421 3031.49 7.586 951 3030.76 7.584 703 3030.27 7.583 779 3028.20 7.578 157 3025.27 7.570 38 2981.69 7.461 138 2980.83 7.459 348 2979.98 7.457 501 2978.15 7.452 203 2976.20 7.448 52 2974.73 7.444 196 2974.12 7.442 257 2972.78 7.439 1000 2971.44 7.436 448 2969.12 7.430 70 2966.55 7.423 294 2964.97 7.419 565 2962.89 7.414 120 2943.12 7.365 224 2941.77 7.361 434 2940.43 7.358 234 2938.35 7.353 33 2937.99 7.352 34 2936.40 7.348 180 2934.33 7.343 439 2932.37 7.338 148 2929.69 7.331 30 2928.34 7.328 124 2927.00 7.324 208 2925.78 7.321 111
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
ANION RADICAL, REDUCTION WITH RB IN THF AT RT
ANION RADICAL, REDUCTION WITH K IN THF
ANION RADICAL, REDUCTION WITH CAESIUM IN THF
ANION RADICAL, REDUCTION WITH LI IN THF AT RT
ANION RADICAL, REDUCTION WITH NA IN MTHF, ENDOR
