Methylglyoxal 1,1-dimethyl acetal(6342-56-9) IR1
Product NameMethylglyoxal 1,1-dimethyl acetal
CAS6342-56-9
Molecular FormulaC5H10O3
Molecular Weight118.13
InChIInChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3
InChIKey ULVSHNOGEVXRDR-UHFFFAOYSA-N
SmilesC(OC)(OC)C(=O)C
-
MassMS-NW-8331 pyruvaldehyde dimethyl acetal C5H10O3 (Mass of molecular ion: 118)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.1 15.0 12.8 27.0 1.5 28.0 2.5 29.0 11.4 31.0 23.5 42.0 1.9 43.0 20.5 44.0 1.8 45.0 7.3 47.0 35.9 59.0 13.1 72.0 1.0 75.0 100.0 76.0 3.4 87.0 12.4
parameter in CDCl3
-
1H NMR 300 MHz C5 H10 O3 0.05 ml : 0.5 ml CDCl3 pyruvaldehyde dimethyl acetal 
Parameter ppm Hz
D(A) 4.454 D(B) 3.422 D(C) 2.188
Hz ppm Int.1336.20 4.454 167 1026.59 3.422 1000 656.40 2.188 500
in CDCl3
liquid film
