6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE(5617-70-9) IR1
Product Name6,6-DIMETHYL-5,7-DIOXASPIRO[2.5]OCTANE-4,8-DIONE
CAS5617-70-9
Molecular FormulaC8H10O4
Molecular Weight170.16
InChIInChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3
InChIKey AXJVPXNVESYGDT-UHFFFAOYSA-N
SmilesC1C2(C(=O)OC(C)(C)OC2=O)C1
-
MassMS-IW-5074 6,6-dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione C8H10O4 (Mass of molecular ion: 170)
Source Temperature: 110 °C Sample Temperature: 80 °C Direct, 75 eV
14.0 1.0 15.0 8.1 16.0 1.2 17.0 4.1 18.0 24.6 26.0 2.7 27.0 5.0 28.0 8.6 29.0 3.6 31.0 3.0 37.0 1.6 38.0 4.7 39.0 20.4 40.0 73.6 41.0 8.4 42.0 5.1 43.0 100.0 44.0 67.1 45.0 2.1 53.0 3.4 54.0 1.7 55.0 1.1 57.0 3.1 58.0 29.8 59.0 12.2 68.0 90.6 69.0 15.7 82.0 1.7 84.0 2.7 85.0 1.1 95.0 5.6 112.0 2.9 113.0 67.8 114.0 4.0 126.0 22.4 127.0 1.7 155.0 39.1 156.0 3.0 170.0 1.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H10 O4 0.040 g : 0.5 ml CDCl3 6,6-dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione 
Assign. Shift(ppm)
A 1.985 B 1.820
Hz ppm Int.793.33 1.986 809 727.29 1.820 1000
in CDCl3
KBr disc
nujol mull
