2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE(87769-39-9) MS
Product Name2,2,5,6-TETRAMETHYL-4H-1,3-DIOXIN-4-ONE
CAS87769-39-9
Molecular FormulaC8H12O3
Molecular Weight156.18
InChIInChI=1S/C8H12O3/c1-5-6(2)10-8(3,4)11-7(5)9/h1-4H3
InChIKey NZEPEQVPVAXLSY-UHFFFAOYSA-N
SmilesO1C(C)=C(C)C(=O)OC1(C)C
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MassMS-NW-9446 2,2,5,6-tetramethyl-4H-1,3-dioxin-4-one C8H12O3 (Mass of molecular ion: 156)
Source Temperature: 240 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 8.9 26.0 2.5 27.0 10.6 28.0 6.0 29.0 2.7 31.0 2.4 39.0 6.0 41.0 4.3 42.0 4.0 43.0 100.0 44.0 3.6 45.0 1.0 53.0 2.1 54.0 2.3 55.0 5.6 56.0 29.2 57.0 2.0 58.0 7.1 59.0 17.8 60.0 1.0 70.0 60.3 71.0 3.1 83.0 33.2 84.0 1.5 98.0 57.1 99.0 13.2 156.0 18.5 157.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H12 O3 0.05 ml : 0.5 ml CDCl3 2,2,5,6-tetramethyl-4H-1,3-dioxin-4-one 
Assign. Shift(ppm)
A 1.989 B 1.820 C 1.651
Hz ppm Int.795.41 1.991 461 794.56 1.989 420 727.66 1.821 465 726.81 1.819 418 660.03 1.652 1000
liquid film
