Acetic acid(64-19-7) 13C NMR
Product NameAcetic acid
CAS64-19-7
Molecular FormulaC2H4O2
Molecular Weight60.05
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey QTBSBXVTEAMEQO-UHFFFAOYSA-N
SmilesC(O)(=O)C
-
MassMS-NW-0080 acetic acid C2H4O2 (Mass of molecular ion: 60)
Source Temperature: 224 °C Sample Temperature: 75 °C Reservoir, 75 eV
13.0 2.1 14.0 4.9 15.0 17.1 16.0 2.4 17.0 1.2 18.0 2.8 28.0 4.1 29.0 8.5 31.0 2.5 41.0 3.6 42.0 13.1 43.0 100.0 44.0 2.5 45.0 90.4 46.0 1.1 60.0 74.8 61.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C2 H4 O2 0.04 ml : 0.5 ml CDCl3 acetic acid 
Assign. Shift(ppm)
A 11.42 B 2.098
Hz ppm Int.1022.49 11.417 55 187.90 2.099 1000
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
