3-Chloropivaloyl chloride(4300-97-4) IR1
Product Name3-Chloropivaloyl chloride
CAS4300-97-4
Molecular FormulaC5H8Cl2O
Molecular Weight155.02
InChIInChI=1S/C5H8Cl2O/c1-5(2,3-6)4(7)8/h3H2,1-2H3
InChIKey MQZNDDUMJVSIMH-UHFFFAOYSA-N
SmilesC(Cl)(=O)C(C)(C)CCl
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MassMS-IW-9117 3-chloro-2,2-dimethylpropionyl chloride C5H8Cl2O (Mass of molecular ion: 154)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.0 26.0 1.7 27.0 11.1 28.0 8.1 29.0 17.8 35.0 1.4 36.0 11.2 37.0 1.6 38.0 5.3 39.0 19.7 40.0 2.2 41.0 13.7 42.0 2.1 49.0 4.0 50.0 1.8 51.0 2.9 53.0 6.6 54.0 4.3 55.0 77.4 56.0 5.6 62.0 1.0 63.0 13.9 65.0 4.4 75.0 3.9 77.0 3.1 83.0 1.0 90.0 6.1 91.0 100.0 92.0 6.4 93.0 32.0 94.0 1.4 119.0 2.4 125.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C5 H8 Cl2 O 0.05 ml : 0.5 ml CDCl3 3-chloro-2,2-dimethylpropionyl chloride 
Parameter ppm Hz
D(A) 3.683 D(B) 1.423
Hz ppm Int.1104.89 3.683 333 426.91 1.423 1000
in CDCl3
liquid film
