Pinacolone(75-97-8) 13C NMR
Product NamePinacolone
CAS75-97-8
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChIKey PJGSXYOJTGTZAV-UHFFFAOYSA-N
SmilesCC(=O)C(C)(C)C
-
MassMS-NW-0893 3,3-dimethyl-2-butanone C6H12O (Mass of molecular ion: 100)
Source Temperature: 280 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 4.4 27.0 5.0 28.0 1.1 29.0 36.2 38.0 1.0 39.0 11.3 40.0 1.4 41.0 55.7 43.0 32.1 55.0 3.0 56.0 4.1 57.0 100.0 58.0 4.4 85.0 4.1 100.0 14.9 101.0 1.1
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
