3-Methyl-2-butanone(563-80-4) Raman
Product Name3-Methyl-2-butanone
CAS563-80-4
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N
SmilesCC(=O)C(C)C
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MassMS-NW-0051 3-methyl-2-butanone C5H10O (Mass of molecular ion: 86)
Source Temperature: 230 °C Sample Temperature: 55 °C Reservoir, 75 eV
14.0 1.6 15.0 9.8 26.0 3.1 27.0 19.3 28.0 3.1 29.0 3.5 37.0 1.4 38.0 2.9 39.0 16.3 40.0 2.1 41.0 26.2 42.0 4.9 43.0 100.0 44.0 2.4 45.0 1.3 50.0 1.3 51.0 1.1 57.0 3.7 71.0 6.9 86.0 22.6 87.0 1.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O 0.02 ml : 0.5 ml CDCl3 3-methyl-2-butanone 
Assign. Shift(ppm)
A 1.111 B 2.141 C 2.584
Hz ppm Int.240.00 2.680 46 233.00 2.602 65 226.13 2.525 55 219.31 2.449 29 191.63 2.140 951 102.50 1.145 1000 95.56 1.067 864 89.56 1.000 24
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
