Dimethyl fumarate(624-49-7) IR3
Product NameDimethyl fumarate
CAS624-49-7
Molecular FormulaC6H8O4
Molecular Weight144.13
InChIInChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
InChIKey LDCRTTXIJACKKU-ONEGZZNKSA-N
SmilesC(OC)(=O)/C=C/C(OC)=O
-
MassMS-NW-0257 dimethyl fumarate C6H8O4 (Mass of molecular ion: 144)
Source Temperature: 150 °C Sample Temperature: 0 °C Direct, 75 eV
15.0 30.6 25.0 1.2 26.0 14.7 27.0 4.4 29.0 6.5 30.0 1.5 31.0 2.5 39.0 4.7 41.0 3.4 42.0 1.6 53.0 16.8 54.0 12.5 55.0 3.4 59.0 30.6 81.0 2.9 82.0 6.4 85.0 57.8 86.0 2.8 99.0 2.0 100.0 4.4 113.0 100.0 114.0 20.1 115.0 1.6 144.0 4.7 145.0 1.7
parameter in CDCl3
-
1H NMR 300 MHz C6 H8 O4 0.050 g : 0.5 ml CDCl3 dimethyl fumarate 
Parameter ppm Hz
D(A) 6.864 D(B) 3.814
Hz ppm Int.2059.21 6.864 333 1144.19 3.814 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
