O,P'-DDT(789-02-6) IR1
Molecular FormulaC14H9Cl5
Molecular Weight354.49
InChIInChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
InChIKey CVUGPAFCQJIYDT-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC=C1C(C1=CC=C(Cl)C=C1)C(Cl)(Cl)Cl
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MassMS-NW-7491 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane C14H9Cl5 (Mass of molecular ion: 352)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 2.4 39.0 1.2 50.0 2.7 51.0 2.6 62.0 1.3 63.0 2.0 73.0 1.2 74.0 2.6 75.0 5.6 76.0 1.0 81.5 1.4 82.0 4.0 82.5 1.8 86.0 1.2 87.0 3.0 87.5 1.6 88.0 5.0 93.0 1.0 98.0 1.1 99.0 2.9 99.5 1.6 100.0 1.9 101.0 1.5 105.0 4.7 105.5 1.8 106.0 2.9 110.0 1.4 111.0 1.5 123.0 5.6 123.5 1.1 124.0 3.5 125.0 1.2 135.0 1.4 136.0 3.5 137.0 1.4 138.0 1.5 141.0 1.0 149.0 1.1 150.0 1.3 151.0 1.0 163.0 3.4 164.0 3.6 165.0 27.8 166.0 4.2 170.0 1.6 171.0 1.8 172.0 1.3 173.0 1.4 174.0 1.6 175.0 2.2 176.0 8.6 177.0 2.0 199.0 10.2 200.0 6.0 201.0 4.4 202.0 2.0 206.0 1.2 208.0 1.3 210.0 2.6 211.0 1.5 212.0 7.5 213.0 1.5 214.0 2.4 235.0 100.0 236.0 14.9 237.0 64.4 238.0 9.1 239.0 10.7 240.0 1.7 246.0 10.7 247.0 3.0 248.0 7.3 249.0 1.8 250.0 1.3 281.0 1.8 282.0 2.4 283.0 2.2 284.0 1.9 316.0 1.8 317.0 1.5 318.0 2.6 319.0 2.0 320.0 1.3 321.0 1.1 352.0 2.8 354.0 4.5 356.0 2.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H9 Cl5 0.035 g : 0.5 ml CDCl3 1,1,1-trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane 
Assign. Shift(ppm)
A 8.126 B 7.506 C 7.381 D 7.32 E 7.297 F 7.240 G 5.757
Hz ppm Int.3257.32 8.151 294 3255.62 8.147 316 3249.39 8.131 303 3247.68 8.127 323 3007.08 7.525 104 3004.27 7.518 722 3002.44 7.513 282 2997.80 7.502 281 2995.85 7.497 890 2993.16 7.490 126 2955.08 7.395 285 2953.61 7.391 322 2947.14 7.375 371 2945.68 7.371 428 2933.35 7.340 163 2931.88 7.337 179 2925.78 7.321 329 2924.19 7.317 331 2922.97 7.314 218 2920.17 7.307 1000 2918.09 7.302 563 2916.50 7.298 297 2913.70 7.291 293 2911.62 7.286 840 2908.94 7.279 117 2904.30 7.268 34 2900.88 7.259 284 2899.17 7.255 307 2892.94 7.239 282 2891.36 7.235 302 2885.50 7.221 162 2883.91 7.217 150 2300.90 5.758 840
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
