Heptanoic acid(111-14-8) 13C NMR
Product NameHeptanoic acid
CAS111-14-8
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKey MNWFXJYAOYHMED-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCC
-
MassMS-NW-0544 heptanoic acid C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.2 26.0 1.1 27.0 15.1 28.0 3.9 29.0 15.8 31.0 1.6 39.0 8.2 40.0 1.4 41.0 24.2 42.0 6.1 43.0 27.1 45.0 5.7 53.0 1.3 55.0 15.9 56.0 3.8 57.0 2.4 59.0 3.0 60.0 100.0 61.0 11.7 68.0 2.8 69.0 4.3 70.0 12.6 71.0 14.1 73.0 47.1 74.0 5.6 83.0 2.8 84.0 4.4 87.0 19.6 88.0 1.3 101.0 6.1
in CDCl3
liquid film
4880 A,150M,liquid
