Dimethyl acetylenedicarboxylate(762-42-5) IR2
Product NameDimethyl acetylenedicarboxylate
CAS762-42-5
Molecular FormulaC6H6O4
Molecular Weight142.11
InChIInChI=1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
InChIKey VHILMKFSCRWWIJ-UHFFFAOYSA-N
SmilesC(OC)(=O)C#CC(OC)=O
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MassMS-NW-1338 dimethyl acetylenedicarboxylate C6H6O4 (Mass of molecular ion: 142)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 23.9 24.0 2.2 25.0 1.7 26.0 1.6 27.0 1.8 28.0 4.4 29.0 8.9 30.0 2.3 31.0 2.3 37.0 1.1 38.0 2.1 39.0 36.9 40.0 1.6 45.0 1.7 52.0 14.3 53.0 6.5 54.0 1.2 59.0 15.0 66.0 2.4 68.0 1.4 69.0 4.6 80.0 9.5 81.0 1.5 82.0 3.2 83.0 4.1 84.0 5.7 85.0 1.3 98.0 8.0 111.0 100.0 112.0 16.4 113.0 3.6 142.0 1.4
parameter in CDCl3
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1H NMR 300 MHz C6 H6 O4 0.04 ml : 0.5 ml CDCl3 dimethyl acetylenedicarboxylate 
Parameter ppm Hz
D(A) 3.851
Hz ppm Int.1155.30 3.851 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
