DL-Dithiothreitol(27565-41-9) 1H NMR
Product NameDL-Dithiothreitol
CAS27565-41-9
Molecular FormulaC4H10O2S2
Molecular Weight154.25
InChIInChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/s3
InChIKey VHJLVAABSRFDPM-APQYWOSTNA-N
Smiles[C@@H](O)(CS)[C@H](O)CS |&1:0,4,r|
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MassMS-IW-5621 dithiothreitol C4H10O2S2 (Mass of molecular ion: 154)
Source Temperature: 120 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 3.9 18.0 4.0 19.0 2.0 27.0 5.8 28.0 1.5 29.0 4.4 31.0 3.8 34.0 1.8 35.0 5.1 39.0 2.1 41.0 3.1 42.0 4.1 43.0 23.6 44.0 66.2 45.0 26.7 46.0 6.3 47.0 45.6 48.0 11.4 49.0 5.8 54.0 3.2 55.0 4.6 57.0 8.7 58.0 5.4 59.0 95.5 60.0 13.2 61.0 35.4 62.0 1.8 63.0 4.4 64.0 1.4 69.0 1.0 71.0 1.5 72.0 1.2 73.0 10.5 74.0 2.3 75.0 1.9 76.0 20.3 77.0 100.0 78.0 6.1 79.0 5.9 84.0 1.0 85.0 12.8 86.0 8.7 87.0 2.4 88.0 19.5 89.0 87.2 90.0 5.0 91.0 5.0 92.0 4.8 93.0 2.8 101.0 1.4 102.0 83.3 103.0 54.5 104.0 6.7 105.0 2.8 106.0 1.6 107.0 5.2 118.0 5.8 119.0 4.2 120.0 10.3 121.0 1.0 136.0 9.0 154.0 12.0 155.0 1.4 156.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O2 S2 0.020 g : 0.5 ml CDCl3 dithiothreitol 
Assign. Shift(ppm)
A 3.69 B 3.32 C 2.73 D 1.604
Hz ppm Int.336.81 3.761 109 333.56 3.725 96 331.94 3.707 180 331.25 3.699 172 330.19 3.687 102 326.94 3.651 154 325.81 3.638 100 323.56 3.613 84 297.69 3.324 1000 251.56 2.809 237 246.56 2.754 186 244.81 2.734 194 243.25 2.717 361 237.69 2.654 225 236.69 2.643 186 151.63 1.694 294 143.44 1.602 360 142.75 1.594 279 134.56 1.503 217
in CDCl3
KBr disc
nujol mull
