3-Pentanone(96-22-0) IR1
Product Name3-Pentanone
CAS96-22-0
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKey FDPIMTJIUBPUKL-UHFFFAOYSA-N
SmilesCCC(=O)CC
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MassMS-NW-0749 3-pentanone C5H10O (Mass of molecular ion: 86)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.5 27.0 12.4 28.0 4.3 29.0 59.4 30.0 1.4 39.0 1.8 41.0 2.0 42.0 1.8 43.0 1.6 55.0 1.3 56.0 3.7 57.0 100.0 58.0 3.4 86.0 21.2 87.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H10 O 0.05 ml : 0.5 ml CDCl3 3-pentanone 
Assign. Shift(ppm)
A 2.439 B 1.058
Hz ppm Int.986.08 2.468 234 978.76 2.450 614 971.31 2.431 612 963.87 2.412 240 435.06 1.089 29 430.30 1.077 694 427.73 1.071 56 422.97 1.059 1000 415.41 1.040 629
in CDCl3
CCl4 solution
liquid film
