4-n-Pentylbiphenyl(7116-96-3) MS
Product Name4-n-Pentylbiphenyl
CAS7116-96-3
Molecular FormulaC17H20
Molecular Weight224.34
InChIInChI=1S/C17H20/c1-2-3-5-8-15-11-13-17(14-12-15)16-9-6-4-7-10-16/h4,6-7,9-14H,2-3,5,8H2,1H3
InChIKey IFUOTAQBVGAZPR-UHFFFAOYSA-N
SmilesC1(C2=CC=CC=C2)=CC=C(CCCCC)C=C1
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MassMS-IW-4105 4-pentylbiphenyl C17H20 (Mass of molecular ion: 224)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
115.0 1.3 128.0 1.1 152.0 7.1 153.0 1.8 154.0 1.4 165.0 11.8 166.0 4.4 167.0 100.0 168.0 16.8 169.0 1.3 178.0 1.2 181.0 1.1 224.0 32.2 225.0 6.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H20 0.05 ml : 0.5 ml CDCl3 4-pentylbiphenyl 
Assign. Shift(ppm)
A 7.553 B 7.481 C 7.374 D 7.275 E 7.213 F 2.608 G 1.627 J 1.33 K 0.894
Hz ppm Int.3023.93 7.567 494 3022.71 7.564 569 3020.63 7.559 174 3017.33 7.550 238 3016.48 7.548 330 3015.50 7.546 645 3014.89 7.544 498 3014.28 7.543 575 3012.33 7.538 103 2996.58 7.499 118 2994.51 7.493 671 2992.55 7.488 250 2988.16 7.477 282 2986.21 7.473 771 2984.13 7.467 142 2956.67 7.399 108 2955.69 7.396 259 2954.96 7.394 374 2953.13 7.390 144 2947.63 7.376 674 2946.41 7.373 342 2941.41 7.360 209 2939.82 7.356 405 2939.33 7.355 352 2937.87 7.352 88 2914.92 7.294 167 2913.70 7.291 297 2912.35 7.288 173 2908.20 7.277 139 2906.25 7.272 335 2904.30 7.268 111 2900.15 7.257 94 2898.93 7.254 160 2897.71 7.251 88 2888.55 7.228 128 2886.60 7.223 667 2884.52 7.218 237 2880.13 7.207 225 2878.66 7.203 505 2878.05 7.202 579 2876.10 7.197 112 1050.29 2.629 324 1042.60 2.609 398 1034.67 2.589 348 665.89 1.667 61 663.57 1.661 44 658.57 1.648 162 656.62 1.643 134 653.56 1.636 130 650.88 1.629 215 647.71 1.621 148 645.39 1.615 125 644.90 1.614 126 643.31 1.610 164 638.79 1.599 51 635.74 1.591 68 549.32 1.375 33 544.92 1.364 73 544.43 1.363 73 540.28 1.352 173 537.72 1.346 531 534.06 1.337 440 530.40 1.328 730 527.22 1.320 336 523.32 1.310 261 520.26 1.302 88 518.31 1.297 46 517.21 1.295 49 515.26 1.290 38 366.94 0.919 60 363.77 0.911 363 361.33 0.905 197 358.52 0.898 338 356.81 0.893 1000 351.56 0.880 211 349.61 0.875 319 347.05 0.869 70 345.21 0.864 41 344.48 0.862 40
in CDCl3
liquid film
