Isobutyryl chloride(79-30-1) IR1
Product NameIsobutyryl chloride
CAS79-30-1
Molecular FormulaC4H7ClO
Molecular Weight106.55
InChIInChI=1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
InChIKey DGMOBVGABMBZSB-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(C)C
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MassMS-NW-2558 isobutyryl chloride C4H7ClO (Mass of molecular ion: 106)
Source Temperature: 290 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 1.8 26.0 3.8 27.0 32.0 28.0 2.5 36.0 1.6 37.0 1.4 38.0 2.3 39.0 13.1 40.0 2.9 41.0 47.2 42.0 6.0 43.0 100.0 44.0 3.5 55.0 1.0 63.0 3.0 65.0 1.0 70.0 1.9 71.0 32.1 72.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H7 Cl O 0.05 ml : 0.5 ml CDCl3 isobutyryl chloride 
Assign. Shift(ppm)
A 2.97 B 1.310
Hz ppm Int.280.13 3.128 28 273.63 3.056 28 273.06 3.049 63 266.94 2.981 31 266.31 2.974 70 259.88 2.902 33 259.25 2.895 75 252.50 2.820 39 120.44 1.345 1000 113.56 1.268 848
liquid film
