1,1'-BINAPHTHYL(604-53-5) IR2
Product Name1,1'-BINAPHTHYL
CAS604-53-5
Molecular FormulaC20H14
Molecular Weight254.33
InChIInChI=1S/C20H14/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey ZDZHCHYQNPQSGG-UHFFFAOYSA-N
SmilesC1(C2=C3C(C=CC=C3)=CC=C2)=C2C(C=CC=C2)=CC=C1
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MassMS-NW-5878 1,1'-binaphthyl C20H14 (Mass of molecular ion: 254)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
63.0 1.0 75.0 1.0 100.0 1.9 101.0 1.8 112.0 3.5 112.5 1.9 113.0 8.6 113.5 1.8 114.0 2.3 119.5 4.9 120.0 1.0 124.0 2.1 124.5 1.7 125.0 10.0 125.5 3.1 126.0 26.4 126.5 7.4 127.0 8.5 127.5 1.7 224.0 2.0 225.0 1.5 226.0 2.6 239.0 12.1 240.0 2.6 248.0 1.6 249.0 1.6 250.0 12.7 251.0 5.1 252.0 52.8 253.0 74.1 254.0 100.0 255.0 20.4 256.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C20 H14 13.9 mg : 0.5 ml CDCl3 1,1'-binaphthyl 
Assign. Shift(ppm)
A *1 7.95 B *1 7.94 C 7.585 D 7.49 E 7.47 F 7.390 G 7.282 ASSIGNED BY H-H AND C-H COSY AND H-1 COUPLED C13-NMR SPECTRUM.
Hz ppm Int.3180.54 7.959 611 3177.00 7.950 644 3172.36 7.938 733 3168.82 7.929 703 3039.55 7.606 620 3036.50 7.598 56 3035.16 7.595 48 3032.59 7.589 891 3031.37 7.586 636 3024.41 7.568 811 3001.10 7.510 34 2997.44 7.501 869 2996.22 7.498 913 2991.94 7.487 439 2990.60 7.484 1000 2989.26 7.480 689 2985.35 7.470 475 2984.01 7.467 728 2982.54 7.463 441 2977.05 7.450 406 2975.83 7.447 452 2958.98 7.404 463 2958.13 7.402 480 2950.56 7.383 701 2949.95 7.382 692 2944.58 7.368 46 2917.36 7.300 506 2916.14 7.297 527 2913.21 7.290 60 2910.64 7.283 441 2909.18 7.280 592 2907.59 7.276 405 2902.22 7.262 314 2900.88 7.259 314
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1H NMR 89.56 MHz C20 H14 0.040 g : 0.5 ml CDCl3 1,1'-binaphthyl Assign. Shift(ppm)
A *1 7.95 B *1 7.94 C 7.59 D 7.49 E 7.47 F 7.39 G 7.28 400MHZ : HSP-40-367
Hz ppm Int.713.56 7.968 412 711.94 7.950 464 706.94 7.894 374 704.81 7.870 861 703.38 7.854 385 702.06 7.839 163 684.31 7.641 313 677.38 7.564 894 673.88 7.525 231 671.69 7.500 884 670.00 7.482 1000 669.31 7.474 962 667.81 7.457 459 665.81 7.435 589 664.75 7.423 315 663.50 7.409 263 662.44 7.397 145 659.75 7.367 367 658.31 7.351 930 654.81 7.312 586 653.19 7.294 550 648.50 7.241 386 646.31 7.217 152 643.69 7.188 107 642.00 7.169 168 640.25 7.149 108 638.81 7.133 92
in CDCl3
KBr disc
nujol mull
4880 A,150M,powder
