4,4',4''-TRIMETHOXYTRITYL CHLORIDE(49757-42-8) IR2
Product Name4,4',4''-TRIMETHOXYTRITYL CHLORIDE
CAS49757-42-8
Molecular FormulaC22H21ClO3
Molecular Weight368.85
InChIInChI=1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
InChIKey OBFCMKPFILBCSQ-UHFFFAOYSA-N
SmilesC(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)(C1=CC=C(OC)C=C1)Cl
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MassMS-NW-6867 chlorotris(p-methoxyphenyl)methane C22H21ClO3 (Mass of molecular ion: 368)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
15.0 9.7 18.0 3.3 35.0 1.0 36.0 2.6 39.0 2.3 50.0 5.2 51.0 2.3 52.0 1.7 55.0 1.0 62.0 1.0 63.0 4.0 64.0 2.1 65.0 1.7 74.0 1.1 75.0 2.2 76.0 2.4 77.0 4.2 78.0 1.2 79.0 1.1 87.0 1.7 88.0 2.8 89.0 3.5 92.0 2.4 94.0 1.1 94.5 3.0 95.0 1.0 100.0 1.5 101.0 4.9 101.5 1.1 102.0 1.5 106.5 1.6 107.0 2.9 107.5 2.2 108.0 3.2 113.0 3.2 114.0 2.1 115.0 3.0 116.0 1.8 121.0 1.3 123.0 1.5 126.0 1.4 127.0 1.0 128.0 1.3 129.0 1.3 135.0 10.4 136.0 1.2 137.0 1.2 137.5 1.4 139.0 5.2 140.0 2.2 141.0 1.6 145.0 1.1 150.0 1.9 151.0 3.2 152.0 4.6 153.0 1.5 158.0 2.1 163.0 1.9 165.0 2.6 166.0 1.0 166.5 2.3 167.0 1.8 168.0 1.5 169.0 1.2 176.0 3.3 177.0 2.0 178.0 2.3 182.0 2.7 183.0 1.8 187.0 1.4 188.0 1.1 189.0 6.6 190.0 1.9 195.0 2.6 200.0 1.8 201.0 1.8 202.0 10.9 203.0 9.3 204.0 3.9 205.0 1.5 210.0 2.5 211.0 3.3 212.0 1.3 213.0 3.2 214.0 2.8 215.0 13.9 216.0 6.0 217.0 2.1 218.0 1.0 225.0 5.0 226.0 5.0 227.0 6.9 228.0 3.2 229.0 1.3 231.0 4.4 232.0 4.7 233.0 1.8 242.0 1.4 243.0 8.6 244.0 4.3 245.0 3.1 246.0 2.3 247.0 4.1 248.0 1.0 258.0 2.3 259.0 11.5 260.0 3.7 261.0 1.0 264.0 1.1 274.0 1.9 275.0 9.2 276.0 2.0 289.0 7.2 290.0 3.9 301.0 1.5 302.0 1.5 303.0 5.0 304.0 1.4 318.0 39.0 319.0 10.2 320.0 1.5 331.0 1.4 332.0 1.0 333.0 100.0 334.0 28.4 335.0 4.8 350.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C22 H21 Cl O3 0.040 g : 0.5 ml CDCl3 chlorotris(p-methoxyphenyl)methane 
Assign. Shift(ppm)
A 7.279 B 6.995 C 3.912
Hz ppm Int.657.94 7.347 162 656.00 7.325 58 651.31 7.273 73 651.19 7.271 73 649.06 7.248 305 646.38 7.218 57 632.75 7.066 40 629.94 7.034 285 627.81 7.010 79 623.00 6.957 53 620.88 6.933 152 618.00 6.901 24 350.44 3.913 1000
in CDCl3
KBr disc
nujol mull
