PROPIONALDEHYDE DIMETHYL ACETAL(4744-10-9) MS
Product NamePROPIONALDEHYDE DIMETHYL ACETAL
CAS4744-10-9
Molecular FormulaC5H12O2
Molecular Weight104.15
InChIInChI=1S/C5H12O2/c1-4-5(6-2)7-3/h5H,4H2,1-3H3
InChIKey UIOXNNAWANDJCZ-UHFFFAOYSA-N
SmilesC(OC)(OC)CC
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MassMS-NW-1076 propionaldehyde dimethyl acetal C5H12O2 (Mass of molecular ion: 104)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.6 15.0 7.5 26.0 2.1 27.0 10.8 28.0 10.1 29.0 14.3 30.0 1.2 31.0 19.2 32.0 1.4 33.0 1.0 39.0 5.4 40.0 1.0 41.0 31.7 42.0 4.6 43.0 4.5 45.0 31.9 47.0 16.4 55.0 1.0 57.0 7.2 58.0 3.3 59.0 1.7 71.0 7.0 72.0 10.7 73.0 80.5 74.0 3.8 75.0 100.0 76.0 3.5 103.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H12 O2 0.04 ml : 0.5 ml CDCl3 propionaldehyde dimethyl acetal 
Assign. Shift(ppm)
A 4.290 B 3.318 C 1.620 D 0.912
Hz ppm Int.390.00 4.355 24 384.38 4.292 48 378.56 4.227 25 297.31 3.320 1000 151.88 1.696 30 151.50 1.692 28 146.25 1.633 28 145.63 1.627 39 144.38 1.613 37 144.00 1.608 35 138.56 1.548 38 89.00 0.994 34 88.31 0.987 66 87.69 0.980 43 81.25 0.908 117 80.63 0.901 74 74.25 0.830 21 73.56 0.822 39 72.50 0.810 25
in CDCl3
liquid film
4880 A,200 M,liquid
