2-METHYL-3-PENTANONE(565-69-5) IR1
Product Name2-METHYL-3-PENTANONE
CAS565-69-5
Molecular FormulaC6H12O
Molecular Weight100.16
InChIInChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3
InChIKey HYTRYEXINDDXJK-UHFFFAOYSA-N
SmilesCC(C)C(=O)CC
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MassMS-IW-9264 2-methyl-3-pentanone C6H12O (Mass of molecular ion: 100)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.4 27.0 11.6 28.0 4.3 29.0 39.2 39.0 5.1 41.0 14.2 42.0 3.6 43.0 66.3 44.0 2.3 55.0 1.6 56.0 7.1 57.0 100.0 58.0 3.8 67.0 1.1 70.0 1.6 71.0 17.7 85.0 1.2 100.0 18.8 101.0 1.8
parameter in CDCl3
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1H NMR 300 MHz C6 H12 O 0.05 ml : 0.5 ml CDCl3 2-methyl-3-pentanone 
Parameter ppm Hz
D(A) 2.625 D(C) 1.096 J(A,C) 6.9 D(B) 2.483 D(D) 1.045 J(B,D) 7.3
Hz ppm Int.801.43 2.671 28 794.53 2.648 69 787.63 2.625 94 780.73 2.602 73 773.83 2.579 32 755.95 2.520 75 748.65 2.495 234 741.34 2.471 241 734.06 2.447 83 332.23 1.107 1000 325.34 1.084 970 320.75 1.069 256 313.45 1.045 490 306.16 1.021 232
in CDCl3
liquid film
