Mesityl oxide(141-79-7) MS
Product NameMesityl oxide
CAS141-79-7
Molecular FormulaC6H10O
Molecular Weight98.14
InChIInChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChIKey SHOJXDKTYKFBRD-UHFFFAOYSA-N
SmilesCC(=O)/C=C(/C)\C
-
MassMS-NW-0029 4-methyl-3-penten-2-one C6H10O (Mass of molecular ion: 98)
Source Temperature: 220 °C Sample Temperature: 65 °C Reservoir, 75 eV
15.0 4.3 18.0 1.5 26.0 1.5 27.0 13.8 28.0 2.4 29.0 22.7 31.0 2.5 37.0 1.0 38.0 2.5 39.0 19.9 40.0 2.2 41.0 7.6 42.0 2.4 43.0 40.5 44.0 1.0 50.0 2.6 51.0 3.3 52.0 1.3 53.0 9.1 54.0 1.7 55.0 85.0 56.0 4.6 58.0 1.5 59.0 6.8 79.0 1.9 82.0 1.2 83.0 100.0 84.0 5.6 98.0 53.6 99.0 3.9
90 MHz in CDCl3
-
1H NMR 89.56 MHz C6 H10 O 0.04 ml : 0.5 ml CDCl3 4-methyl-3-penten-2-one 
Assign. Shift(ppm)
A 6.090 B 2.161 C 2.137 D 1.885
Hz ppm Int.547.94 6.119 36 546.94 6.107 70 546.56 6.103 72 545.63 6.093 94 544.31 6.078 74 542.94 6.063 37 193.56 2.162 1000 192.00 2.144 479 190.75 2.130 478 169.56 1.894 447 168.25 1.879 459
in CDCl3
CCl4 solution
liquid film
