Mono-methyl succinate(3878-55-5) 13C NMR
Product NameMono-methyl succinate
CAS3878-55-5
Molecular FormulaC5H8O4
Molecular Weight132.11
InChIInChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey JDRMYOQETPMYQX-UHFFFAOYSA-N
SmilesC(OC)(=O)CCC(O)=O
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MassMS-NW-7242 methyl hydrogen succinate C5H8O4 (Mass of molecular ion: 132)
Source Temperature: 210 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 15.0 19.3 26.0 6.1 27.0 22.5 28.0 17.8 29.0 28.6 30.0 1.1 31.0 7.8 32.0 1.5 33.0 1.3 41.0 1.1 42.0 4.8 43.0 7.4 45.0 26.8 53.0 1.1 55.0 49.9 56.0 13.6 57.0 6.9 59.0 23.9 60.0 2.5 72.0 2.3 73.0 22.9 74.0 1.4 77.0 2.1 83.0 1.0 87.0 5.6 88.0 5.4 100.0 9.2 101.0 100.0 102.0 4.9 114.0 13.3 115.0 3.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O4 0.039 g : 0.5 ml CDCl3 methyl hydrogen succinate 
Assign. Shift(ppm)
A 11.24 B 3.707 C 2.66
Hz ppm Int.1007.10 11.245 61 332.06 3.708 1000 241.74 2.700 90 240.45 2.685 215 238.66 2.665 574 236.87 2.645 200 235.58 2.631 104 231.31 2.583 25 230.29 2.572 31
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
