Product Name4-BROMO-4'-PROPYLBIPHENYL
CAS58743-81-0
Molecular FormulaC15H15Br
Molecular Weight275.18
InChIInChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3
InChIKey DPERLOMMOVDOHH-UHFFFAOYSA-N
SmilesC1(C2=CC=C(CCC)C=C2)=CC=C(Br)C=C1
Mass
MS-NW-9390 4-bromo-4'-propylbiphenyl C15H15Br (Mass of molecular ion: 274)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
18.0 3.2 27.0 1.4 39.0 2.0 41.0 1.3 50.0 1.0 51.0 1.6 63.0 2.8 65.0 1.0 69.5 1.4 70.0 1.3 75.0 2.0 76.0 3.8 77.0 1.3 81.5 1.3 82.0 5.3 82.5 3.5 83.0 2.5 88.0 1.8 89.0 2.9 114.0 1.1 115.0 3.3 126.0 1.2 127.0 1.0 139.0 3.7 150.0 1.2 151.0 2.5 152.0 6.5 153.0 2.4 163.0 3.4 164.0 4.7 165.0 50.9 166.0 13.3 167.0 3.4 178.0 4.0 179.0 1.7 180.0 1.1 191.0 1.0 194.0 1.1 232.0 1.0 245.0 99.4 246.0 14.7 247.0 100.0 248.0 14.2 274.0 65.9 275.0 11.6 276.0 63.5 277.0 10.9
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C15 H15 Br | 0.038 g : 0.5 ml CDCl3 |
4-bromo-4'-propylbiphenyl |
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Assign. Shift(ppm) |
Hz ppm Int.
3015.26 7.545 50 3012.82 7.539 437 3012.33 7.538 332 3010.74 7.534 161 3006.23 7.523 184 3004.03 7.517 693 3001.59 7.511 105 2985.72 7.471 58 2983.76 7.466 384 2981.81 7.462 145 2977.29 7.450 163 2975.34 7.445 555 2973.14 7.440 706 2970.95 7.434 209 2966.43 7.423 158 2964.36 7.418 467 2961.91 7.412 61 2898.56 7.253 68 2896.61 7.248 408 2896.12 7.247 369 2894.65 7.243 142 2890.14 7.232 126 2888.18 7.227 370 1052.61 2.634 200 1045.17 2.616 260 1037.23 2.596 217 684.94 1.714 37 677.61 1.696 147 670.04 1.677 226 663.82 1.662 105 662.48 1.658 242 656.49 1.643 43 654.91 1.639 154 647.71 1.621 41 392.46 0.983 503 385.13 0.964 1000 377.69 0.946 450
in CDCl3
KBr disc
nujol mull
4-BROMO-4'-PROPYLBIPHENYL(58743-81-0) 1H NMR Atlas of Related Products
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