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MassMS-NW-9384 1,2,3-cyclohexanetriol C6H12O3 (Mass of molecular ion: 132)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.3 18.0 1.5 19.0 1.4 27.0 5.6 28.0 2.7 29.0 10.6 30.0 1.5 31.0 5.4 39.0 4.7 40.0 1.7 41.0 9.9 42.0 6.8 43.0 8.6 44.0 7.9 45.0 2.8 47.0 1.6 53.0 1.5 55.0 8.1 56.0 1.4 57.0 40.4 58.0 17.3 59.0 1.1 60.0 7.3 67.0 5.3 68.0 5.8 69.0 6.2 70.0 100.0 71.0 8.2 73.0 7.1 79.0 1.1 81.0 2.0 83.0 7.5 86.0 8.3 95.0 2.1 96.0 9.3 97.0 3.7 113.0 4.4 114.0 17.3 115.0 2.9
400 MHz in D2O
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1H NMR 399.65 MHz C6 H12 O3 0.044 g : 0.5 ml D2O 1,2,3-cyclohexanetriol 
Assign. Shift(ppm)
A 4.055 B 3.785 C 3.441 D 1.901 E 1.758 F 1.55 G 1.318 ASSIGNED BY C-H COSY
Hz ppm Int.1625.24 4.067 243 1622.56 4.060 440 1619.75 4.053 518 1617.55 4.048 390 1607.30 4.022 34 1606.93 4.021 32 1514.16 3.789 227 1509.64 3.778 241 1505.25 3.767 312 1504.15 3.764 335 1500.73 3.756 338 1499.63 3.753 323 1495.24 3.742 293 1490.72 3.731 280 1380.86 3.456 520 1377.81 3.448 504 1372.19 3.434 460 1369.02 3.426 459 771.24 1.930 163 768.92 1.924 193 767.33 1.921 240 765.01 1.915 163 762.82 1.909 200 760.99 1.905 138 758.30 1.898 224 756.23 1.893 210 754.15 1.888 259 751.95 1.882 176 749.76 1.877 123 713.75 1.786 101 708.86 1.774 226 706.91 1.769 185 705.20 1.765 194 703.61 1.761 243 700.44 1.753 168 697.88 1.747 265 693.60 1.736 178 636.96 1.594 107 635.50 1.591 99 633.54 1.586 114 631.96 1.582 105 627.56 1.571 198 623.29 1.560 660 621.70 1.556 734 620.48 1.553 718 617.68 1.546 1000 613.77 1.536 881 605.59 1.516 241 601.20 1.505 119 598.51 1.498 104 545.04 1.364 97 538.82 1.349 137 534.91 1.339 150 532.23 1.332 183 528.81 1.324 225 525.63 1.316 169 522.22 1.307 196 519.17 1.300 159 516.60 1.293 186 506.35 1.267 89
in D2O
KBr disc
nujol mull
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