2-Butanethiol(513-53-1) 13C NMR
Product Name2-Butanethiol
CAS513-53-1
Molecular FormulaC4H10S
Molecular Weight90.19
InChIInChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey LOCHFZBWPCLPAN-UHFFFAOYSA-N
SmilesCC(S)CC
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MassMS-NW-3790 2-butanethiol C4H10S (Mass of molecular ion: 90)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.9 26.0 3.6 27.0 27.5 28.0 6.9 29.0 71.0 30.0 1.6 33.0 1.6 34.0 1.7 35.0 9.6 37.0 1.1 38.0 1.8 39.0 18.0 40.0 2.5 41.0 96.3 42.0 6.5 43.0 4.1 44.0 1.2 45.0 8.1 46.0 1.9 47.0 13.6 49.0 1.3 50.0 1.9 51.0 1.8 53.0 2.9 55.0 12.5 56.0 21.0 57.0 100.0 58.0 4.7 59.0 7.9 60.0 12.5 61.0 79.5 62.0 3.4 63.0 3.7 75.0 5.5 76.0 2.8 90.0 75.1 91.0 4.1 92.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 S 0.04 ml : 0.5 ml CDCl3 2-butanethiol 
Assign. Shift(ppm)
A 2.863 B 1.58 C 1.46 D 1.322 E 0.983
Hz ppm Int.270.19 3.017 35 264.06 2.949 78 257.25 2.873 107 250.88 2.802 87 244.13 2.726 45 157.31 1.757 41 154.63 1.727 48 151.38 1.691 40 150.81 1.684 50 149.19 1.666 131 148.38 1.657 60 147.31 1.645 159 145.00 1.620 44 143.19 1.599 145 141.44 1.580 231 140.31 1.567 210 137.56 1.536 52 135.38 1.512 140 133.25 1.488 474 128.50 1.435 156 127.50 1.424 313 127.13 1.420 355 125.63 1.403 48 121.63 1.359 1000 119.63 1.336 79 117.94 1.317 31 117.50 1.312 32 115.06 1.285 899 95.31 1.065 208 94.50 1.056 402 93.75 1.047 281 87.63 0.979 725 87.00 0.972 432 80.88 0.904 124 80.06 0.894 226 78.81 0.880 146
in CDCl3
liquid film
