Tetrahydrothiopyran-3-ol, 95(22072-19-1) MS
Product NameTetrahydrothiopyran-3-ol, 95
CAS22072-19-1
Molecular FormulaC5H10OS
Molecular Weight118.2
InChIInChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2
InChIKey ZHHOMIAGFRSWCU-UHFFFAOYSA-N
SmilesC1SCCCC1O
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MassMS-NW-6406 tetrahydrothiopyran-3-ol C5H10OS (Mass of molecular ion: 118)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.0 15.0 6.0 17.0 2.5 18.0 10.7 26.0 3.5 27.0 26.8 28.0 6.3 29.0 9.3 31.0 8.7 32.0 1.3 34.0 1.5 35.0 3.1 37.0 1.4 38.0 2.7 39.0 23.9 40.0 3.6 41.0 44.8 42.0 10.6 43.0 33.1 44.0 43.5 45.0 30.8 46.0 43.6 47.0 39.0 48.0 28.3 49.0 18.6 50.0 2.3 51.0 1.9 53.0 8.0 54.0 6.8 55.0 9.7 56.0 2.6 57.0 20.9 58.0 25.2 59.0 17.5 60.0 11.8 61.0 77.5 62.0 24.1 63.0 5.7 64.0 1.2 65.0 4.9 66.0 8.8 67.0 22.2 68.0 2.2 69.0 4.5 70.0 6.0 71.0 29.9 72.0 6.4 73.0 3.5 74.0 34.2 75.0 8.0 76.0 3.7 77.0 2.9 83.0 1.7 84.0 2.1 85.0 29.5 86.0 2.0 87.0 16.2 88.0 1.6 89.0 6.4 90.0 10.5 99.0 7.7 100.0 24.3 101.0 18.3 102.0 2.4 103.0 2.5 116.0 2.3 117.0 1.5 118.0 100.0 119.0 6.8 120.0 4.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O S 0.04 ml : 0.5 ml CDCl3 tetrahydrothiopyran-3-ol 
Assign. Shift(ppm)
A 3.851 B 3.1 C 2.773 D 2.54 E *1 2.48 F *1 2.45 G 2.083 J 1.872 K 1.776 L 1.456 ASSIGNED BY C-H COSY
Hz ppm Int.1550.66 3.881 179 1547.36 3.872 317 1544.07 3.864 220 1542.11 3.859 343 1538.82 3.851 566 1535.52 3.843 324 1533.69 3.838 202 1530.27 3.830 297 1526.98 3.821 156 1243.65 3.112 90 1118.16 2.798 275 1116.94 2.795 403 1115.60 2.792 384 1113.89 2.788 397 1112.55 2.784 277 1105.22 2.766 338 1104.00 2.763 492 1102.54 2.759 458 1100.83 2.755 467 1099.61 2.752 319 1022.58 2.559 734 1014.16 2.538 718 1009.64 2.527 582 1001.10 2.505 587 997.19 2.496 198 993.53 2.486 443 987.67 2.472 1000 984.01 2.463 923 979.25 2.451 490 978.88 2.450 485 975.95 2.443 534 975.59 2.442 535 971.07 2.430 110 965.82 2.417 145 965.45 2.416 145 962.16 2.408 129 850.95 2.130 117 847.78 2.122 194 844.48 2.114 238 840.82 2.104 264 837.77 2.097 297 834.11 2.088 326 830.93 2.080 306 827.76 2.072 248 826.78 2.069 295 824.46 2.063 229 823.24 2.060 178 820.80 2.054 232 817.26 2.045 125 763.06 1.910 131 761.84 1.907 150 759.64 1.901 216 758.42 1.898 219 756.23 1.893 204 754.76 1.889 204 752.56 1.884 197 750.85 1.879 217 749.76 1.877 222 748.78 1.874 227 748.17 1.873 229 746.58 1.869 256 745.24 1.865 249 743.04 1.860 217 741.70 1.856 215 739.62 1.851 213 738.28 1.848 213 736.57 1.844 150 735.96 1.842 145 735.11 1.840 142 728.39 1.823 222 724.37 1.813 203 720.09 1.802 218 718.87 1.799 237 714.72 1.789 362 712.28 1.783 186 711.06 1.780 342 710.33 1.778 253 706.91 1.769 235 705.93 1.767 336 704.96 1.764 223 702.39 1.758 305 701.42 1.756 251 698.61 1.749 133 697.51 1.746 160 696.04 1.742 154 692.26 1.733 185 688.72 1.724 122 597.78 1.496 206 594.12 1.487 206 588.99 1.474 240 588.01 1.472 237 584.59 1.463 378 581.05 1.454 205 579.22 1.450 197 575.81 1.441 339 572.27 1.432 214 566.04 1.417 143 562.62 1.408 127
in CDCl3
liquid film
