Itaconic acid monomethyl ester(7338-27-4) 1H NMR
Product NameItaconic acid monomethyl ester
CAS7338-27-4
Molecular FormulaC6H8O4
Molecular Weight144.13
InChIInChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)
InChIKey OIYTYGOUZOARSH-UHFFFAOYSA-N
SmilesC(O)(=O)C(=C)CC(OC)=O
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MassMS-NW-1425 4-methyl hydrogen methylenesuccinate C6H8O4 (Mass of molecular ion: 144)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 2.5 15.0 68.5 16.0 1.0 18.0 3.3 26.0 3.6 27.0 9.2 28.0 10.0 29.0 28.4 30.0 2.0 31.0 17.6 32.0 5.2 33.0 1.9 34.0 1.0 37.0 6.3 38.0 13.4 39.0 88.5 40.0 51.2 41.0 59.6 42.0 8.8 43.0 9.3 44.0 3.6 45.0 27.5 53.0 3.4 54.0 3.6 55.0 19.0 56.0 5.7 57.0 25.7 58.0 8.4 59.0 100.0 60.0 3.1 61.0 1.0 66.0 1.1 67.0 8.1 68.0 94.4 69.0 47.0 70.0 3.7 71.0 2.7 72.0 6.3 73.0 1.5 74.0 1.3 82.0 3.2 83.0 1.6 84.0 6.1 85.0 78.3 86.0 4.4 98.0 1.7 99.0 11.4 100.0 11.1 101.0 1.1 112.0 16.8 113.0 60.5 114.0 3.8 126.0 7.8 127.0 2.2 144.0 9.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H8 O4 0.050 g : 0.5 ml CDCl3 4-methyl hydrogen methylenesuccinate 
Assign. Shift(ppm)
A 10.53 B 6.474 C 5.844 D 3.713 E 3.356 J(B,C)=0.9HZ J(C,E)=-1.0HZ
Hz ppm Int.943.31 10.533 45 580.38 6.481 122 579.44 6.470 132 525.06 5.863 40 523.94 5.851 114 523.00 5.840 117 521.88 5.828 48 332.56 3.714 1000 301.00 3.361 202 300.13 3.352 215
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
