Triphenylethylene(58-72-0) IR1
Product NameTriphenylethylene
CAS58-72-0
Molecular FormulaC20H16
Molecular Weight256.34
InChIInChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChIKey MKYQPGPNVYRMHI-UHFFFAOYSA-N
SmilesC(/C1=CC=CC=C1)=C(\C1=CC=CC=C1)/C1=CC=CC=C1
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MassMS-NW-6742 triphenylethylene C20H16 (Mass of molecular ion: 256)
Source Temperature: 180 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.6 27.0 2.4 28.0 1.0 39.0 5.6 50.0 3.7 51.0 10.9 52.0 2.2 62.0 2.0 63.0 5.5 65.0 1.9 74.0 2.9 75.0 3.6 76.0 3.3 77.0 7.3 78.0 3.4 86.0 1.4 87.0 2.4 88.0 1.8 89.0 2.7 91.0 3.9 94.5 1.0 98.0 1.3 99.0 1.0 100.0 1.7 101.0 2.9 102.0 2.4 106.5 1.0 107.5 1.3 112.0 1.1 113.0 4.4 113.5 1.1 114.0 2.8 115.0 3.4 117.0 1.1 119.5 3.6 120.0 3.5 120.5 1.1 125.0 1.6 126.0 6.1 126.5 1.2 127.0 2.7 128.0 2.2 130.0 1.8 139.0 3.0 150.0 2.6 151.0 5.9 152.0 8.3 153.0 2.5 154.0 1.2 163.0 2.3 164.0 1.5 165.0 14.8 166.0 2.5 174.0 1.4 175.0 1.3 176.0 9.1 177.0 7.5 178.0 41.4 179.0 27.5 180.0 3.9 187.0 1.1 189.0 2.8 200.0 1.6 201.0 1.2 202.0 3.7 203.0 1.2 213.0 2.1 215.0 6.9 216.0 1.6 224.0 1.0 225.0 1.0 226.0 4.6 227.0 2.7 228.0 5.5 229.0 3.0 239.0 12.0 240.0 7.7 241.0 12.4 242.0 2.6 250.0 2.2 251.0 1.2 252.0 9.0 253.0 10.0 254.0 6.4 255.0 21.6 256.0 100.0 257.0 22.1 258.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C20 H16 0.039 g : 0.5 ml CDCl3 triphenylethylene 
Assign. Shift(ppm)
A 7.43 to 7.15 B 7.15 to 6.99 C 6.961
Hz ppm Int.659.06 7.359 105 657.13 7.338 89 656.44 7.330 79 655.00 7.314 376 653.25 7.294 1000 652.19 7.283 601 649.75 7.255 189 648.31 7.239 209 647.88 7.235 201 646.88 7.223 158 645.44 7.207 175 644.50 7.197 112 643.25 7.183 73 642.25 7.172 54 641.56 7.164 61 640.94 7.157 70 640.19 7.149 93 638.25 7.127 51 637.44 7.118 79 636.31 7.105 141 635.13 7.092 168 634.13 7.081 394 633.69 7.076 445 632.31 7.061 306 631.88 7.056 293 629.69 7.031 58 628.69 7.020 74 628.19 7.015 64 623.44 6.962 277
KBr disc
nujol mull
4880 A,200 M,powder
