Isobutyric anhydride(97-72-3) IR2
Product NameIsobutyric anhydride
CAS97-72-3
Molecular FormulaC8H14O3
Molecular Weight158.2
InChIInChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3
InChIKey LSACYLWPPQLVSM-UHFFFAOYSA-N
SmilesC(=O)(OC(=O)C(C)C)C(C)C
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MassMS-NW-0926 isobutyric anhydride C8H14O3 (Mass of molecular ion: 158)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.5 26.0 1.5 27.0 14.6 28.0 2.9 39.0 7.9 40.0 2.2 41.0 20.9 42.0 5.4 43.0 88.0 44.0 2.9 70.0 3.2 71.0 100.0 72.0 4.5 73.0 1.7
parameter in CDCl3
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1H NMR 300 MHz C8 H14 O3 10.16 mol% in CDCl3 isobutyric anhydride 
Parameter ppm Hz
D(A) 2.661 D(B) 1.235 J(A,B) 7.17
Hz ppm Int.812.79 2.709 28 805.62 2.685 68 798.44 2.661 92 791.27 2.638 72 784.11 2.614 31 374.06 1.247 1000 366.89 1.223 966
in CDCl3
CCl4 solution
liquid film
