4-TRITYLPHENOL(978-86-9) IR1
Product Name4-TRITYLPHENOL
CAS978-86-9
Molecular FormulaC25H20O
Molecular Weight336.43
InChIInChI=1S/C25H20O/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19,26H
InChIKey NIPKXTKKYSKEON-UHFFFAOYSA-N
SmilesC1(O)=CC=C(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
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MassMS-NW-7850 p-tritylphenol C25H20O (Mass of molecular ion: 336)
Source Temperature: 200 °C Sample Temperature: 170 °C Direct, 75 eV
51.0 1.2 55.0 1.3 77.0 2.1 91.0 1.6 94.0 1.4 115.0 2.2 129.0 3.2 139.0 1.1 151.0 1.6 152.0 5.1 153.0 2.9 154.0 1.9 164.0 1.5 165.0 25.1 166.0 6.0 167.0 2.6 168.0 2.0 181.0 16.0 182.0 3.9 183.0 1.3 189.0 1.2 202.0 2.8 203.0 1.2 215.0 4.1 216.0 1.3 226.0 2.5 227.0 1.7 228.0 3.4 229.0 2.6 231.0 1.0 239.0 4.2 240.0 1.7 241.0 3.5 242.0 1.7 243.0 6.8 244.0 4.6 257.0 5.1 258.0 2.6 259.0 100.0 260.0 21.2 261.0 2.5 334.0 1.3 335.0 2.1 336.0 37.2 337.0 10.3 338.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C25 H20 O 0.029 g : 0.5 ml DMSO-d6 p-tritylphenol 
Assign. Shift(ppm)
A 9.38 B 7.272 C 7.185 D 7.130 E 6.913 F 6.687
Hz ppm Int.3747.56 9.378 320 2915.16 7.295 380 2911.62 7.286 148 2907.71 7.276 863 2900.02 7.257 700 2877.81 7.201 359 2876.71 7.199 300 2870.48 7.183 500 2863.28 7.165 203 2862.18 7.162 161 2854.13 7.142 752 2852.78 7.139 1000 2845.58 7.121 755 2844.60 7.118 727 2770.26 6.932 50 2767.33 6.925 337 2765.38 6.920 143 2762.70 6.913 48 2760.62 6.908 137 2758.54 6.903 428 2755.49 6.895 58 2679.08 6.704 60 2675.90 6.696 410 2673.95 6.691 152 2671.02 6.684 46 2669.07 6.679 122 2667.11 6.674 354 2664.06 6.666 45
DMSO-d6
KBr disc
nujol mull
