1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9) 13C NMR
Product Name1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE
CAS622-21-9
Molecular FormulaC21H18O
Molecular Weight286.37
InChIInChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H
InChIKey RLJALOQFYHCJKG-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)=CC=CC(=O)C=CC=CC1=CC=CC=C1
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MassMS-NW-8293 1,9-diphenyl-1,3,6,8-nonatetraen-5-one C21H18O (Mass of molecular ion: 286)
Source Temperature: 200 °C Sample Temperature: 160 °C Direct, 75 eV
27.0 1.5 39.0 2.9 50.0 1.8 51.0 7.8 52.0 1.6 55.0 2.1 63.0 3.2 64.0 1.0 65.0 2.6 74.0 1.1 75.0 1.9 76.0 2.7 77.0 14.1 78.0 4.7 79.0 1.1 89.0 2.7 91.0 27.2 92.0 2.5 101.0 2.0 102.0 7.2 103.0 6.8 104.0 6.0 105.0 7.7 114.0 1.0 115.0 23.3 116.0 9.1 117.0 46.8 118.0 5.7 126.0 2.8 127.0 20.5 128.0 53.9 129.0 28.1 130.0 6.9 131.0 5.7 132.0 1.3 139.0 1.3 141.0 10.7 142.0 8.5 143.0 3.1 144.0 25.3 145.0 3.4 151.0 1.8 152.0 13.8 153.0 11.7 154.0 21.7 155.0 8.0 156.0 1.9 157.0 13.6 158.0 5.2 165.0 21.7 166.0 13.0 167.0 52.4 168.0 8.9 169.0 3.0 170.0 2.4 171.0 10.2 172.0 2.2 177.0 9.5 178.0 6.6 179.0 8.1 180.0 7.1 181.0 8.9 182.0 6.3 183.0 3.0 184.0 1.0 189.0 1.2 191.0 4.1 192.0 1.6 193.0 2.3 194.0 4.8 195.0 31.4 196.0 5.0 202.0 1.7 203.0 1.4 204.0 1.7 205.0 3.2 206.0 5.4 207.0 3.2 208.0 2.4 209.0 6.4 210.0 1.0 215.0 2.9 216.0 1.5 217.0 2.6 228.0 2.3 229.0 2.2 230.0 1.5 231.0 1.3 239.0 1.3 241.0 2.3 242.0 1.7 243.0 4.0 244.0 1.2 252.0 1.8 253.0 1.7 255.0 1.1 257.0 2.6 258.0 19.9 259.0 4.7 260.0 1.8 265.0 1.1 267.0 2.1 268.0 2.5 269.0 1.4 271.0 1.3 285.0 5.4 286.0 100.0 287.0 24.1 288.0 3.3 312.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C21 H18 O 0.032 g : 0.5 ml CDCl3 1,9-diphenyl-1,3,6,8-nonatetraen-5-one 
Assign. Shift(ppm)
A 7.47 B 7.47 C 7.355 D 7.312 E 6.96 F 6.94 G 6.559 ASSIGNED BY C-H AND H-H COSY. J(B,F)=6.4 HZ J(B,G)=15.3 HZ J(E,F)=14.0 HZ
Hz ppm Int.2998.41 7.503 178 2996.58 7.499 156 2991.46 7.486 378 2989.87 7.482 598 2988.16 7.477 323 2983.15 7.465 712 2981.81 7.462 560 2975.22 7.445 179 2973.02 7.440 217 2949.10 7.380 199 2947.51 7.376 274 2945.68 7.371 122 2940.55 7.358 676 2939.09 7.355 275 2934.57 7.343 234 2933.23 7.340 456 2930.91 7.334 106 2928.34 7.328 222 2926.88 7.324 393 2925.42 7.320 222 2922.49 7.313 131 2919.92 7.307 343 2916.75 7.299 76 2913.94 7.292 71 2912.60 7.288 107 2911.25 7.285 61 2792.97 6.989 70 2779.17 6.955 1000 2777.71 6.951 411 2771.00 6.934 382 2770.63 6.933 382 2755.13 6.894 67 2627.44 6.575 637 2612.18 6.537 429
in CDCl3
KBr disc
nujol mull
