Dimethyl acetylsuccinate(10420-33-4) MS
Product NameDimethyl acetylsuccinate
CAS10420-33-4
Molecular FormulaC8H12O5
Molecular Weight188.18
InChIInChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
InChIKey XREKLQOUFWBSFH-UHFFFAOYSA-N
SmilesC(OC)(=O)C(C(C)=O)CC(OC)=O
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MassMS-IW-2184 dimethyl acetylsuccinate C8H12O5 (Mass of molecular ion: 188)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 14.9 26.0 1.8 27.0 8.7 28.0 2.4 29.0 2.9 31.0 2.6 39.0 1.7 41.0 1.9 42.0 4.6 43.0 100.0 44.0 3.7 45.0 2.4 53.0 1.9 54.0 1.4 55.0 48.2 56.0 2.2 58.0 2.2 59.0 12.8 69.0 1.8 75.0 1.5 82.0 1.9 85.0 4.5 86.0 4.7 87.0 20.4 88.0 1.0 97.0 13.0 98.0 1.6 99.0 2.2 113.0 15.6 114.0 81.0 115.0 13.0 116.0 1.2 124.0 4.9 125.0 4.4 129.0 31.5 130.0 2.2 145.0 1.6 146.0 53.2 147.0 3.7 156.0 3.3 157.0 9.5 188.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H12 O5 0.05 ml : 0.5 ml CDCl3 dimethyl acetylsuccinate 
Assign. Shift(ppm)
A 4.019 B 3.761 C 3.676 D *1 2.957 E *1 2.840 F 2.353 J(A,D)=8.1HZ J(A,E)=6.4HZ J(D,E)=-17.6HZ
Hz ppm Int.1613.77 4.038 97 1607.30 4.022 114 1605.83 4.019 119 1599.24 4.002 105 1503.66 3.763 1000 1503.05 3.761 949 1469.60 3.678 978 1197.27 2.996 78 1189.21 2.976 73 1179.69 2.952 145 1171.63 2.932 145 1144.41 2.864 144 1138.06 2.848 144 1126.95 2.820 78 1120.48 2.804 81 940.67 2.354 999
in CDCl3
liquid film
