2,4,5-TRIMETHYLOXAZOLE(20662-84-4) MS
Product Name2,4,5-TRIMETHYLOXAZOLE
CAS20662-84-4
Molecular FormulaC6H9NO
Molecular Weight111.14
InChIInChI=1S/C6H9NO/c1-4-5(2)8-6(3)7-4/h1-3H3
InChIKey ZRLDBDZSLLGDOX-UHFFFAOYSA-N
SmilesO1C(C)=C(C)N=C1C
-
MassMS-IW-1257 2,4,5-trimethyloxazole C6H9NO (Mass of molecular ion: 111)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 5.4 26.0 2.2 27.0 6.2 28.0 1.5 38.0 1.0 39.0 3.2 40.0 2.7 41.0 9.7 42.0 35.5 43.0 55.6 44.0 1.6 52.0 1.0 53.0 1.4 54.0 2.6 55.0 45.5 56.0 1.6 66.0 2.1 67.0 1.7 68.0 30.0 69.0 11.9 70.0 25.4 71.0 1.3 82.0 11.9 83.0 1.8 96.0 5.4 110.0 14.2 111.0 100.0 112.0 8.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H9 N O 0.05 ml : 0.5 ml CDCl3 2,4,5-trimethyloxazole 
Assign. Shift(ppm)
A 2.35 B 2.175 C 2.027
Hz ppm Int.939.58 2.352 700 937.26 2.346 1000 869.38 2.176 790 868.90 2.175 793 813.11 2.035 586 810.67 2.029 852 809.69 2.026 814 797.85 1.997 37
in CDCl3
liquid film
