3-Methylthiopropanol(505-10-2) IR1
Product Name3-Methylthiopropanol
CAS505-10-2
Molecular FormulaC4H10OS
Molecular Weight106.19
InChIInChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
InChIKey CZUGFKJYCPYHHV-UHFFFAOYSA-N
SmilesC(O)CCSC
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MassMS-NW-2958 3-methylthio-1-propanol C4H10OS (Mass of molecular ion: 106)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.7 18.0 2.1 26.0 2.6 27.0 19.6 28.0 5.7 29.0 10.4 30.0 13.3 31.0 44.5 34.0 1.0 35.0 12.7 39.0 6.5 40.0 4.2 41.0 30.0 42.0 2.3 43.0 3.4 44.0 1.8 45.0 20.8 46.0 14.6 47.0 35.3 48.0 33.0 49.0 38.3 50.0 1.9 51.0 1.6 55.0 1.4 57.0 57.8 58.0 68.9 59.0 23.7 60.0 4.6 61.0 75.2 62.0 10.4 63.0 4.3 72.0 1.3 73.0 27.5 74.0 1.8 75.0 15.9 76.0 1.8 77.0 1.4 87.0 1.2 88.0 8.7 91.0 1.1 97.0 1.0 106.0 100.0 107.0 5.3 108.0 4.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H10 O S 0.04 ml : 0.5 ml CDCl3 3-methylthio-1-propanol 
Assign. Shift(ppm)
A 3.708 B 3.05 C 2.59 D 2.110 E 1.83
Hz ppm Int.338.56 3.781 130 332.38 3.712 275 326.25 3.643 153 272.88 3.047 414 240.44 2.685 71 239.75 2.677 68 233.19 2.604 163 233.06 2.603 163 226.13 2.525 121 189.00 2.111 1000 178.06 1.989 37 177.25 1.980 36 171.38 1.914 87 170.25 1.901 60 165.13 1.844 90 164.44 1.837 101 157.88 1.763 69 151.69 1.694 22 150.75 1.684 21
in CDCl3
liquid film
