1-Propanethiol(107-03-9) MS
Product Name1-Propanethiol
CAS107-03-9
Molecular FormulaC3H8S
Molecular Weight76.16
InChIInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey SUVIGLJNEAMWEG-UHFFFAOYSA-N
SmilesC(S)CC
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MassMS-NW-3863 1-propanethiol C3H8S (Mass of molecular ion: 76)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.9 18.0 4.5 26.0 4.7 27.0 45.4 28.0 3.2 29.0 7.9 32.0 1.6 33.0 2.2 34.0 1.8 35.0 6.9 37.0 2.5 38.0 4.0 39.0 23.1 40.0 7.0 41.0 75.4 42.0 84.5 43.0 92.2 44.0 3.3 45.0 17.6 46.0 20.6 47.0 87.9 48.0 10.3 49.0 4.2 57.0 1.7 58.0 4.0 59.0 3.7 60.0 1.2 61.0 11.7 69.0 1.6 71.0 1.2 75.0 1.5 76.0 100.0 77.0 4.4 78.0 4.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H8 S 0.04 ml : 0.5 ml CDCl3 1-propanethiol 
Assign. Shift(ppm)
A 2.496 B 1.63 C 1.325 D 0.986
Hz ppm Int.236.00 2.636 127 235.06 2.625 145 228.06 2.547 392 221.19 2.470 490 214.25 2.393 215 213.44 2.384 220 164.38 1.836 43 158.13 1.766 85 157.00 1.754 206 150.75 1.684 200 150.06 1.676 266 149.31 1.668 236 143.56 1.603 230 142.31 1.589 316 135.63 1.515 216 129.44 1.446 56 128.69 1.437 70 126.06 1.408 379 118.38 1.322 395 116.25 1.299 40 110.50 1.234 277 95.69 1.069 315 94.94 1.061 601 88.19 0.985 1000 87.56 0.978 737 81.44 0.910 207 80.63 0.901 365 79.50 0.888 199
in CDCl3
liquid film
