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MS-IW-0789 trans-1,2-dithiane-4,5-diol C4H8O2S2 (Mass of molecular ion: 152)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 1.8 18.0 2.5 19.0 1.2 27.0 3.3 28.0 1.8 29.0 3.4 31.0 3.3 39.0 1.2 41.0 2.3 42.0 3.0 43.0 19.9 44.0 44.2 45.0 18.9 46.0 10.3 47.0 13.3 48.0 3.6 55.0 7.0 57.0 2.1 58.0 1.8 59.0 8.8 60.0 7.7 61.0 2.0 63.0 1.3 64.0 13.4 66.0 2.0 69.0 3.5 70.0 25.6 71.0 1.7 73.0 2.6 74.0 4.5 75.0 2.0 76.0 5.0 77.0 8.4 78.0 3.2 79.0 16.5 80.0 7.4 81.0 1.7 87.0 31.4 88.0 2.2 89.0 1.5 91.0 2.0 92.0 1.2 101.0 8.1 105.0 1.9 108.0 66.7 109.0 4.0 110.0 6.2 134.0 14.3 135.0 1.8 136.0 1.4 152.0 100.0 153.0 6.4 154.0 9.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H8 O2 S2 0.035 g : 0.5 ml DMSO-d6 trans-1,2-dithiane-4,5-diol Assign. Shift(ppm)
A 5.23 B 3.344 C *1 3.041 D *1 2.739 ASSIGNED BY C-H COSY
Hz ppm Int.
2097.78 5.250 39 2091.19 5.233 1000 2086.67 5.222 993 2079.96 5.205 44 1351.07 3.381 52 1342.90 3.361 236 1339.11 3.351 317 1334.11 3.339 320 1330.32 3.329 255 1322.02 3.308 52 1221.19 3.056 255 1220.70 3.055 255 1208.74 3.025 314 1110.11 2.778 48 1104.98 2.765 275 1100.22 2.753 139 1095.34 2.741 295 1091.55 2.732 259 1086.79 2.720 120 1081.91 2.708 219 1076.78 2.695 42
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