3-Chloro-2-butanone(4091-39-8) MS
Product Name3-Chloro-2-butanone
CAS4091-39-8
Molecular FormulaC4H7ClO
Molecular Weight106.55
InChIInChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey OIMRLHCSLQUXLL-UHFFFAOYSA-N
SmilesCC(=O)C(Cl)C
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MassMS-NW-4352 3-chloro-2-butanone C4H7ClO (Mass of molecular ion: 106)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.8 26.0 2.2 27.0 8.8 29.0 1.2 39.0 1.2 41.0 1.3 42.0 3.4 43.0 100.0 44.0 2.3 55.0 1.1 57.0 1.3 63.0 3.3 65.0 1.0 106.0 5.8 108.0 1.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H7 Cl O 0.02 ml : 0.5 ml CDCl3 3-chloro-2-butanone 
Assign. Shift(ppm)
A 4.325 B 2.333 C 1.608
Hz ppm Int.399.25 4.458 35 392.31 4.381 101 385.44 4.304 109 378.63 4.228 42 208.25 2.326 1000 205.25 2.292 37 146.75 1.639 546 144.56 1.615 41 143.94 1.608 38 139.88 1.562 513
in CDCl3
liquid film
