2,2-DIMETHYL-5-PHENYL-1,3-DIOXANE-4,6-DIONE(15231-78-4) IR1
Product Name2,2-DIMETHYL-5-PHENYL-1,3-DIOXANE-4,6-DIONE
CAS15231-78-4
Molecular FormulaC12H12O4
Molecular Weight220.22
InChIInChI=1S/C12H12O4/c1-12(2)15-10(13)9(11(14)16-12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey NTUAHNQWHPQAMB-UHFFFAOYSA-N
SmilesO1C(=O)C(C2=CC=CC=C2)C(=O)OC1(C)C
-
MassMS-IW-0864 2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione C12H12O4 (Mass of molecular ion: 220)
Source Temperature: 140 °C Sample Temperature: 90 °C Direct, 75 eV
15.0 3.5 17.0 1.1 18.0 6.3 27.0 1.3 28.0 2.3 38.0 1.6 39.0 5.4 40.0 1.2 42.0 1.5 43.0 49.8 44.0 21.1 45.0 2.0 50.0 1.6 51.0 3.4 58.0 12.6 59.0 2.6 62.0 3.0 63.0 9.7 64.0 3.9 65.0 2.3 77.0 2.2 89.0 33.0 90.0 53.1 91.0 18.8 92.0 3.1 105.0 4.0 107.0 1.1 118.0 100.0 119.0 9.0 133.0 1.7 136.0 5.7 145.0 7.7 162.0 5.9 205.0 1.9 220.0 7.2
KBr disc
nujol mull
