1,1'-(Trimethylene)dinaphthalene(14564-86-4) MS
Product Name1,1'-(Trimethylene)dinaphthalene
CAS14564-86-4
Molecular FormulaC23H20
Molecular Weight296.4
InChIInChI=1S/C23H20/c1-3-16-22-18(8-1)10-5-12-20(22)14-7-15-21-13-6-11-19-9-2-4-17-23(19)21/h1-6,8-13,16-17H,7,14-15H2
InChIKey ZOZXMYSUFOYSEK-UHFFFAOYSA-N
SmilesC(C1=C2C(C=CC=C2)=CC=C1)CCC1=C2C(C=CC=C2)=CC=C1
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MassMS-IW-4945 1,1'-trimethylenedinaphthalene C23H20 (Mass of molecular ion: 296)
Source Temperature: 170 °C Sample Temperature: 160 °C Direct, 75 eV
51.0 1.1 63.0 1.6 75.0 1.1 77.0 2.4 89.0 1.3 101.0 1.0 113.0 1.3 115.0 21.4 116.0 2.3 125.0 1.2 126.0 4.3 127.0 7.2 128.0 7.5 129.0 5.8 139.0 5.3 140.0 1.8 141.0 66.0 142.0 100.0 143.0 12.2 148.0 5.2 148.5 1.2 151.0 2.3 152.0 8.8 153.0 25.6 154.0 71.5 155.0 69.5 156.0 8.7 165.0 1.9 167.0 3.9 168.0 7.9 169.0 1.1 239.0 1.1 250.0 1.4 252.0 5.5 253.0 6.9 254.0 7.6 255.0 1.5 265.0 1.0 296.0 89.4 297.0 22.8 298.0 2.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C23 H20 0.025 g : 0.5 ml CDCl3 1,1'-trimethylenedinaphthalene 
Assign. Shift(ppm)
A 7.941 B 7.833 C 7.699 D *1 7.45 E *1 7.42 F 7.377 G 7.340 J 3.193 K 2.229
Hz ppm Int.3184.33 7.968 32 3184.08 7.968 32 3179.69 7.957 379 3177.12 7.950 240 3174.56 7.944 372 3173.58 7.941 342 3169.92 7.932 420 3167.24 7.926 131 3165.04 7.920 76 3140.14 7.858 39 3138.67 7.854 75 3135.62 7.846 424 3132.69 7.839 320 3130.98 7.835 433 3127.93 7.827 295 3125.98 7.822 481 3123.54 7.816 100 3081.30 7.710 475 3073.36 7.691 532 2984.25 7.468 54 2981.81 7.462 191 2977.05 7.450 1000 2974.98 7.444 641 2972.90 7.439 745 2971.80 7.437 744 2969.60 7.431 602 2967.29 7.425 814 2962.77 7.414 161 2960.33 7.408 64 2956.91 7.399 443 2949.83 7.382 891 2941.89 7.362 833 2936.40 7.348 676 2935.06 7.345 748 2929.44 7.331 324 2928.10 7.327 282 1284.30 3.214 704 1276.61 3.195 905 1268.80 3.175 758 906.25 2.268 117 900.15 2.253 150 898.44 2.249 254 897.09 2.245 176 893.31 2.236 154 890.75 2.229 443 888.55 2.224 167 884.64 2.214 146 882.93 2.210 227 881.59 2.206 148 875.24 2.191 104
in CDCl3
