Chloroacetaldehyde dimethyl acetal(97-97-2) MS
Product NameChloroacetaldehyde dimethyl acetal
CAS97-97-2
Molecular FormulaC4H9ClO2
Molecular Weight124.57
InChIInChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
InChIKey CRZJPEIBPQWDGJ-UHFFFAOYSA-N
SmilesC(OC)(OC)CCl
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MassMS-NW-4365 chloroacetaldehyde dimethyl acetal C4H9ClO2 (Mass of molecular ion: 124)
Source Temperature: 230 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.1 15.0 13.0 26.0 1.4 27.0 5.0 29.0 9.3 30.0 1.0 31.0 15.6 42.0 2.9 43.0 48.7 44.0 1.3 45.0 3.6 47.0 14.4 49.0 8.3 50.0 1.5 51.0 2.7 57.0 1.4 58.0 2.2 59.0 1.1 63.0 1.7 75.0 100.0 76.0 3.6 77.0 1.3 92.0 1.4 93.0 56.5 94.0 2.3 95.0 18.3
parameter in CDCl3
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1H NMR 300 MHz C4 H9 Cl O2 0.04 ml : 0.5 ml CDCl3 chloroacetaldehyde dimethyl acetal 
Parameter ppm Hz
D(A) 4.512 D(B) 3.507 J(A,B) 5.39 D(C) 3.409
Hz ppm Int.1359.03 4.530 41 1353.65 4.512 82 1348.27 4.494 44 1054.77 3.516 170 1049.39 3.498 164 1022.70 3.409 1000
in CDCl3
liquid film
4880 A,200 M,liquid
