Propionaldehyde(123-38-6) IR2
Product NamePropionaldehyde
CAS123-38-6
Molecular FormulaC3H6O
Molecular Weight58.08
InChIInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChIKey NBBJYMSMWIIQGU-UHFFFAOYSA-N
SmilesC(=O)CC
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MassMS-NW-0778 propionaldehyde C3H6O (Mass of molecular ion: 58)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
14.0 2.0 15.0 4.7 18.0 5.2 25.0 2.4 26.0 16.4 27.0 59.0 28.0 90.8 29.0 100.0 30.0 7.8 31.0 5.6 37.0 2.4 38.0 2.3 39.0 4.0 40.0 1.7 56.0 1.7 57.0 7.3 58.0 85.0 59.0 12.1 70.0 1.4
parameter in CDCl3
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1H NMR 300 MHz C3 H6 O 0.04 ml : 0.5 ml CDCl3 propionaldehyde 
Parameter ppm Hz
D(A) 9.793 D(B) 2.46 D(C) 1.113 J(A,B) 1.4 J(A,C) 0. J(B,C) 7.3
Hz ppm Int.2939.31 9.798 200 2937.87 9.793 371 2936.58 9.789 203 749.73 2.499 87 748.44 2.495 87 742.42 2.475 265 741.13 2.470 266 735.19 2.451 271 733.82 2.446 275 727.88 2.426 92 726.52 2.422 96 341.13 1.137 503 333.90 1.113 1000 326.59 1.089 484
in CDCl3
CCl4 solution
Liquid film
4880 A,200 M,liquid
