3-MERCAPTO-1-PROPANOL(19721-22-3) IR1
Product Name3-MERCAPTO-1-PROPANOL
CAS19721-22-3
Molecular FormulaC3H8OS
Molecular Weight92.16
InChIInChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2
InChIKey SHLSSLVZXJBVHE-UHFFFAOYSA-N
SmilesC(O)CCS
-
MassMS-IW-8660 3-mercapto-1-propanol C3H8OS (Mass of molecular ion: 92)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 18.0 4.2 19.0 2.1 26.0 3.6 27.0 25.9 28.0 21.0 29.0 18.4 30.0 13.8 31.0 70.9 32.0 1.9 33.0 1.9 34.0 6.5 35.0 20.1 37.0 1.6 38.0 1.5 39.0 10.6 40.0 6.0 41.0 84.5 42.0 4.3 43.0 6.7 44.0 2.9 45.0 25.2 46.0 47.3 47.0 42.4 48.0 5.3 49.0 2.2 55.0 1.7 56.0 1.0 57.0 76.5 58.0 100.0 59.0 29.7 60.0 6.1 61.0 45.3 62.0 4.9 63.0 3.2 64.0 1.4 69.0 1.2 71.0 1.5 72.0 1.1 73.0 9.6 74.0 61.1 75.0 6.3 76.0 3.4 92.0 93.1 93.0 4.9 94.0 4.4 106.0 2.3 182.0 1.7
400 MHz in CDCl3
-
1H NMR 399.65 MHz C3 H8 O S 0.05 ml : 0.5 ml CDCl3 3-mercapto-1-propanol 
Assign. Shift(ppm)
A 3.715 B 3.47 C 2.640 D 1.845 E 1.46
Hz ppm Int.1490.84 3.731 631 1484.74 3.716 1000 1480.47 3.705 91 1478.52 3.700 610 1385.13 3.466 721 1066.16 2.668 323 1059.08 2.651 638 1058.23 2.648 436 1055.18 2.641 38 1052.00 2.633 470 1051.15 2.631 620 1044.07 2.613 344 750.49 1.878 194 748.66 1.874 30 747.80 1.872 30 744.38 1.863 438 743.53 1.861 389 737.30 1.845 604 734.01 1.837 48 731.20 1.830 370 730.35 1.828 370 726.20 1.818 37 724.12 1.812 173 591.80 1.481 419 583.86 1.461 711 575.93 1.442 387
in CDCl3
liquid film
