Isobutyraldehyde(78-84-2) IR1
Product NameIsobutyraldehyde
CAS78-84-2
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey AMIMRNSIRUDHCM-UHFFFAOYSA-N
SmilesC(=O)C(C)C
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MassMS-IW-3442 isobutyraldehyde C4H8O (Mass of molecular ion: 72)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 2.4 26.0 5.6 27.0 54.9 28.0 13.1 29.0 31.5 31.0 1.5 37.0 3.4 38.0 5.7 39.0 28.7 40.0 3.9 41.0 86.7 42.0 14.0 43.0 100.0 44.0 7.4 45.0 1.1 50.0 1.0 53.0 1.5 55.0 3.3 56.0 1.8 57.0 6.9 71.0 4.4 72.0 92.3 73.0 5.9 83.0 2.5 98.0 1.7
parameter neat
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1H NMR 300 MHz C4 H8 O neat isobutyraldehyde 
Parameter ppm Hz
D(A) 2.39 D(B) 1.06 D(C) 9.57 J(A,B) 7.0 J(A,C) 1.1 J(B,C) 0.0 RANFT,J. ANN.PHYS. 10, 1 (1962)
Hz ppm Int.2871.54 9.572 186 2870.52 9.568 186 731.75 2.439 16 730.65 2.435 15 724.66 2.416 39 723.63 2.412 36 717.65 2.392 54 716.62 2.389 51 710.71 2.369 42 709.69 2.366 41 703.70 2.346 18 702.67 2.342 18 321.54 1.072 1000 314.52 1.048 953
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
