4-N-OCTANOYLBIPHENYL(47162-00-5) 13C NMR
Product Name4-N-OCTANOYLBIPHENYL
CAS47162-00-5
Molecular FormulaC20H24O
Molecular Weight280.4
InChIInChI=1S/C20H24O/c1-2-3-4-5-9-12-20(21)19-15-13-18(14-16-19)17-10-7-6-8-11-17/h6-8,10-11,13-16H,2-5,9,12H2,1H3
InChIKey JSNGEMRLSPQOOF-UHFFFAOYSA-N
SmilesC(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CCCCCCC
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MassMS-IW-1312 4-octanoylbiphenyl C20H24O (Mass of molecular ion: 280)
Source Temperature: 170 °C Sample Temperature: 100 °C Direct, 75 eV
41.0 1.0 55.0 1.4 127.0 1.4 151.0 4.3 152.0 21.4 153.0 18.1 154.0 4.0 165.0 1.1 167.0 2.8 178.0 1.4 180.0 1.7 181.0 70.7 182.0 10.2 183.0 1.6 193.0 1.9 196.0 100.0 197.0 15.6 198.0 1.3 209.0 7.0 210.0 1.3 264.0 1.7 280.0 19.9 281.0 4.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H24 O 0.031 g : 0.5 ml CDCl3 4-octanoylbiphenyl 
Assign. Shift(ppm)
A 8.029 B 7.674 C 7.619 D 7.461 E 7.396 F 2.981 G 1.754 J 1.37 K 1.30 L 0.890
Hz ppm Int.3215.58 8.046 102 3213.75 8.042 659 3211.79 8.037 247 3208.86 8.030 46 3207.03 8.025 243 3205.08 8.020 792 3203.25 8.016 147 3073.00 7.690 125 3071.04 7.685 758 3069.09 7.680 267 3064.45 7.668 237 3062.50 7.663 715 3060.55 7.659 130 3051.39 7.636 363 3050.05 7.632 518 3047.97 7.627 154 3043.95 7.617 259 3043.09 7.615 525 3042.48 7.613 483 3041.75 7.612 506 3039.67 7.606 90 2991.70 7.486 172 2990.60 7.484 293 2988.89 7.479 111 2983.52 7.466 616 2981.93 7.462 317 2977.29 7.450 173 2975.83 7.447 362 2973.63 7.441 78 2962.65 7.414 142 2961.43 7.411 273 2960.08 7.407 164 2956.30 7.398 100 2953.98 7.392 301 2951.66 7.386 78 2948.00 7.377 63 2946.78 7.374 106 2945.43 7.371 59 1199.34 3.001 400 1191.89 2.983 560 1188.60 2.975 68 1184.45 2.964 448 716.92 1.794 57 709.35 1.775 161 702.15 1.757 249 694.82 1.739 185 687.38 1.720 80 570.31 1.428 32 564.58 1.413 85 562.01 1.407 95 558.11 1.397 153 556.15 1.392 153 551.88 1.381 212 549.19 1.375 242 547.49 1.370 240 544.56 1.363 266 540.16 1.352 193 534.79 1.339 173 533.33 1.335 164 530.76 1.329 168 527.71 1.321 214 524.54 1.313 276 519.90 1.301 478 517.21 1.295 413 513.43 1.285 270 362.18 0.907 299 360.11 0.902 199 355.35 0.890 1000 348.27 0.872 342
in CDCl3
KBr disc
nujol mull
