2,4-PENTANEDIOL(625-69-4) 1H NMR
Product Name2,4-PENTANEDIOL
CAS625-69-4
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
InChIKey GTCCGKPBSJZVRZ-UHFFFAOYSA-N
SmilesCC(O)CC(O)C
-
MassMS-NW-0799 2,4-pentanediol C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.0 18.0 1.2 19.0 2.6 27.0 6.2 28.0 1.1 29.0 3.4 31.0 3.0 39.0 5.1 40.0 2.3 41.0 13.8 42.0 46.4 43.0 21.5 44.0 3.7 45.0 100.0 46.0 2.2 47.0 1.1 58.0 1.5 59.0 1.4 63.0 4.6 67.0 1.0 71.0 18.7 86.0 3.0 89.0 3.9
in CDCl3
CCl4 solution
liquid film
