2,2,6,6-TETRACHLOROCYCLOHEXANOL(56207-45-5) 13C NMR
Product Name2,2,6,6-TETRACHLOROCYCLOHEXANOL
CAS56207-45-5
Molecular FormulaC6H8Cl4O
Molecular Weight237.94
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MassMS-NW-7505 2,2,6,6-tetrachlorocyclohexanol C6H8Cl4O (Mass of molecular ion: 236)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.3 26.0 2.5 27.0 14.2 28.0 3.6 29.0 8.3 31.0 2.5 35.0 1.2 36.0 7.4 37.0 1.3 38.0 3.3 39.0 22.2 40.0 3.9 41.0 19.9 42.0 1.3 43.0 1.5 44.0 1.7 47.0 1.7 48.0 1.1 49.0 4.5 50.0 3.1 51.0 5.5 52.0 1.0 53.0 2.6 55.0 3.8 57.0 3.7 61.0 5.5 62.0 1.6 63.0 7.4 64.0 1.0 65.0 17.1 66.0 2.1 67.0 3.9 69.0 2.7 73.0 3.4 74.0 1.1 75.0 19.6 76.0 4.9 77.0 7.6 78.0 3.5 83.0 1.9 85.0 1.7 87.0 2.5 89.0 2.4 91.0 100.0 92.0 3.8 93.0 31.8 94.0 1.5 95.0 1.2 96.0 3.4 97.0 1.1 98.0 2.2 99.0 2.2 101.0 24.8 102.0 2.2 103.0 9.5 104.0 9.1 105.0 2.6 106.0 3.0 109.0 11.8 110.0 20.3 111.0 9.1 112.0 15.7 113.0 2.2 114.0 4.2 117.0 1.2 122.0 24.0 123.0 2.2 124.0 14.6 125.0 4.7 126.0 2.7 127.0 2.6 129.0 5.1 130.0 1.1 131.0 2.0 135.0 3.4 136.0 15.6 137.0 6.9 138.0 10.5 139.0 3.9 140.0 2.1 143.0 1.6 145.0 1.4 147.0 2.3 149.0 1.5 165.0 4.9 167.0 3.0 169.0 4.0 170.0 6.1 171.0 3.7 172.0 6.1 173.0 1.6 174.0 2.1 183.0 8.2 185.0 7.6 187.0 2.8 200.0 3.7 201.0 6.3 202.0 3.8 203.0 5.8 204.0 1.5 205.0 2.0 220.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H8 Cl4 O 0.040 g : 0.5 ml CDCl3 2,2,6,6-tetrachlorocyclohexanol 
Assign. Shift(ppm)
A 4.186 B 3.18 C 2.797 D 2.361 E 2.009 F 1.756 J(A,B)=10.5HZ 90MHZ : HSP-06-093
Hz ppm Int.1678.59 4.201 937 1673.71 4.188 36 1668.09 4.174 992 1274.05 3.188 1000 1269.53 3.177 35 1269.17 3.176 35 1268.55 3.175 34 1263.55 3.162 950 1129.64 2.827 325 1128.05 2.823 318 1126.34 2.819 547 1123.17 2.811 354 1122.19 2.808 243 1114.87 2.790 407 1113.04 2.786 440 1111.69 2.782 647 1109.62 2.777 357 1108.40 2.774 395 1102.66 2.760 44 1101.44 2.757 40 1100.83 2.755 40 959.96 2.403 266 958.98 2.400 260 956.30 2.393 285 955.32 2.391 266 948.00 2.373 220 946.66 2.369 488 945.80 2.367 479 944.58 2.364 406 942.87 2.360 526 942.14 2.358 492 937.13 2.345 51 936.89 2.345 51 933.23 2.336 232 932.13 2.333 329 930.91 2.330 220 929.44 2.326 252 928.47 2.324 304 927.25 2.321 200 826.42 2.068 83 823.49 2.061 158 820.43 2.053 89 813.96 2.037 85 811.65 2.031 147 810.30 2.028 275 808.72 2.024 241 806.76 2.019 113 805.79 2.017 130 799.19 2.000 127 797.24 1.995 166 795.53 1.991 343 794.31 1.988 123 793.21 1.985 127 792.11 1.983 110 785.40 1.966 89 782.47 1.958 150 779.42 1.951 78 715.58 1.791 100 711.91 1.782 318 708.37 1.773 468 704.71 1.764 329 700.93 1.754 170 697.27 1.745 267 693.60 1.736 362 689.94 1.727 243 686.40 1.718 83
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
