4,5-Dimethyl-1,3-dioxol-2-one(37830-90-3) MS
Product Name4,5-Dimethyl-1,3-dioxol-2-one
CAS37830-90-3
Molecular FormulaC5H6O3
Molecular Weight114.1
InChIInChI=1S/C5H6O3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey QYIOFABFKUOIBV-UHFFFAOYSA-N
SmilesO1C(C)=C(C)OC1=O
-
MassMS-NW-9427 4,5-dimethyl-1,3-dioxol-2-one C5H6O3 (Mass of molecular ion: 114)
Source Temperature: 250 °C Sample Temperature: 160 °C Reservoir, 75 eV
14.0 2.3 15.0 11.0 26.0 4.7 27.0 19.3 28.0 3.1 38.0 1.1 39.0 4.9 40.0 6.6 41.0 26.3 42.0 16.9 43.0 100.0 44.0 3.4 53.0 4.2 54.0 2.9 55.0 34.3 56.0 1.4 70.0 5.5 86.0 1.7 114.0 56.5 115.0 3.8
parameter in CDCl3
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1H NMR 300 MHz C5 H6 O3 0.041 g : 0.5 ml CDCl3 4,5-dimethyl-1,3-dioxol-2-one 
Parameter ppm Hz
D(A) 2.044
Hz ppm Int.613.20 2.044 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
