Product NamePropionic acid
CAS79-09-4
Molecular FormulaC3H6O2
Molecular Weight74.08
InChIInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey XBDQKXXYIPTUBI-UHFFFAOYSA-N
SmilesC(O)(=O)CC
Mass
MS-NW-5502 propionic acid C3H6O2 (Mass of molecular ion: 74)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.5 15.0 2.9 18.0 1.6 25.0 2.8 26.0 17.8 27.0 58.9 28.0 100.0 29.0 85.8 30.0 15.5 31.0 4.0 42.0 3.1 43.0 2.7 44.0 1.1 45.0 50.9 46.0 5.4 47.0 3.3 53.0 1.6 55.0 12.6 56.0 11.9 57.0 25.6 58.0 1.1 73.0 43.3 74.0 72.7 75.0 3.2
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C3 H6 O2 | 0.04 ml : 0.5 ml CDCl3 |
propionic acid |
Assign. Shift(ppm) |
Hz ppm Int.
1050.85 11.734 142 225.93 2.523 94 225.16 2.515 117 217.72 2.431 421 210.97 2.356 223 210.21 2.348 505 203.28 2.270 150 202.60 2.263 163 110.91 1.239 481 103.65 1.158 1000 103.22 1.153 763 95.87 1.071 362
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
Propionic acid(79-09-4) MS Atlas of Related Products
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