1-Heptanol(111-70-6) IR1
Product Name1-Heptanol
CAS111-70-6
Molecular FormulaC7H16O
Molecular Weight116.2
InChIInChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
InChIKey BBMCTIGTTCKYKF-UHFFFAOYSA-N
SmilesC(O)CCCCCC
-
MassMS-NW-0546 1-heptanol C7H16O (Mass of molecular ion: 116)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.3 18.0 3.2 26.0 1.2 27.0 20.2 28.0 4.6 29.0 27.2 31.0 25.6 39.0 11.3 40.0 2.4 41.0 62.6 42.0 48.5 43.0 66.7 44.0 2.7 45.0 3.6 53.0 2.5 54.0 5.6 55.0 65.7 56.0 95.5 57.0 23.4 67.0 1.8 68.0 13.3 69.0 51.6 70.0 100.0 71.0 6.3 73.0 2.0 83.0 7.4 98.0 5.6
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
