4-BROMO-4'-N-PENTYLBIPHENYL(63619-59-0) 1H NMR
Product Name4-BROMO-4'-N-PENTYLBIPHENYL
CAS63619-59-0
Molecular FormulaC17H19Br
Molecular Weight303.24
InChIInChI=1S/C17H19Br/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h6-13H,2-5H2,1H3
InChIKey VXJTWTJULLKDPY-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCCCC)C=C2)=CC=C(Br)C=C1
-
MassMS-NW-9389 4-bromo-4'-pentylbiphenyl C17H19Br (Mass of molecular ion: 302)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.6 27.0 3.4 29.0 5.2 39.0 2.0 41.0 3.7 43.0 1.9 63.0 1.3 89.0 1.1 115.0 2.3 139.0 2.8 151.0 1.9 152.0 5.4 153.0 2.2 163.0 2.3 164.0 3.2 165.0 36.2 166.0 10.5 167.0 4.2 178.0 4.1 179.0 2.1 180.0 3.0 232.0 1.3 234.0 1.2 245.0 100.0 246.0 16.5 247.0 96.6 248.0 15.7 249.0 1.2 258.0 1.5 259.0 1.0 260.0 1.6 302.0 83.4 303.0 15.8 304.0 81.4 305.0 15.3 306.0 1.3
400 MHz in CDCl3
-
1H NMR 399.65 MHz C17 H19 Br 0.035 g : 0.5 ml CDCl3 4-bromo-4'-pentylbiphenyl 
Assign. Shift(ppm)
A 7.526 B 7.45 C 7.43 D 7.24 E 2.628 F 1.639 G 1.342 J 0.901
Hz ppm Int.3015.38 7.546 80 3012.94 7.539 593 3010.86 7.534 224 3009.28 7.530 43 3006.35 7.523 274 3004.27 7.518 1000 3001.83 7.512 144 2985.47 7.471 92 2983.40 7.466 537 2981.45 7.461 200 2977.05 7.450 255 2975.10 7.445 766 2973.51 7.441 982 2971.44 7.436 291 2968.87 7.429 45 2966.92 7.424 227 2964.84 7.419 664 2962.40 7.413 77 2899.41 7.255 101 2897.46 7.250 539 2895.51 7.246 188 2893.31 7.240 55 2890.99 7.234 178 1058.47 2.649 259 1050.78 2.630 317 1042.85 2.610 276 670.29 1.678 48 668.33 1.673 34 662.96 1.659 127 661.01 1.654 103 657.96 1.647 99 655.40 1.640 169 652.34 1.633 113 649.54 1.626 95 647.83 1.621 125 640.26 1.603 51 549.93 1.377 50 548.83 1.374 51 545.17 1.365 126 542.36 1.358 426 538.70 1.348 352 536.99 1.344 272 535.03 1.339 599 531.86 1.331 259 527.95 1.322 189 524.66 1.313 55 522.09 1.307 30 369.75 0.926 48 366.70 0.918 293 364.26 0.912 159 361.57 0.905 270 359.74 0.901 913 354.49 0.888 160 352.66 0.883 262 350.10 0.877 40
in CDCl3
KBr disc
nujol mull
