5-Chloro-2-pentanone(5891-21-4) IR1
Product Name5-Chloro-2-pentanone
CAS5891-21-4
Molecular FormulaC5H9ClO
Molecular Weight120.58
InChIInChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey XVRIEWDDMODMGA-UHFFFAOYSA-N
SmilesCC(=O)CCCCl
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MassMS-NW-1115 5-chloro-2-pentanone C5H9ClO (Mass of molecular ion: 120)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 3.8 17.0 1.0 18.0 5.0 27.0 4.7 28.0 1.0 39.0 5.5 41.0 14.8 42.0 3.8 43.0 100.0 44.0 2.2 49.0 2.1 55.0 1.4 58.0 29.5 59.0 1.1 77.0 4.0 79.0 1.4 81.0 1.0 84.0 2.1 85.0 3.5 105.0 8.4 107.0 2.6 120.0 3.7 122.0 1.2 145.0 2.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Cl O 0.04 ml : 0.5 ml CDCl3 5-chloro-2-pentanone 
Assign. Shift(ppm)
A 3.578 B 2.636 C 2.173 D 2.04
Hz ppm Int.327.00 3.652 178 320.81 3.583 376 314.50 3.512 226 236.94 2.646 160 230.25 2.571 115 194.63 2.174 1000 189.13 2.112 146 188.63 2.107 99 182.50 2.038 155 181.81 2.031 89 181.31 2.025 82 176.25 1.968 85
in CDCl3
CCl4 solution
liquid film
