Butyl isothiocyanate(592-82-5) Raman
Product NameButyl isothiocyanate
CAS592-82-5
Molecular FormulaC5H9NS
Molecular Weight115.2
InChIInChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
InChIKey LIMQQADUEULBSO-UHFFFAOYSA-N
SmilesC(N=C=S)CCC
-
MassMS-NW-1121 butyl isothiocyanate C5H9NS (Mass of molecular ion: 115)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.5 26.0 3.5 27.0 31.3 28.0 5.3 29.0 73.4 30.0 3.4 32.0 1.3 38.0 1.7 39.0 17.0 40.0 3.1 41.0 85.5 42.0 4.0 43.0 10.2 44.0 3.4 45.0 9.8 46.0 2.2 50.0 1.0 51.0 1.4 53.0 1.9 54.0 2.2 55.0 9.8 56.0 32.0 57.0 51.4 58.0 2.7 59.0 9.3 60.0 6.8 70.0 1.8 71.0 2.4 72.0 42.8 73.0 10.0 74.0 3.8 82.0 5.3 86.0 5.5 87.0 1.2 100.0 5.7 114.0 15.6 115.0 100.0 116.0 7.5 117.0 4.7
in CDCl3
liquid film
