Malonic acid(141-82-2) MS
Product NameMalonic acid
CAS141-82-2
Molecular FormulaC3H4O4
Molecular Weight104.06
InChIInChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChIKey OFOBLEOULBTSOW-UHFFFAOYSA-N
SmilesC(O)(=O)CC(O)=O
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MassMS-NW-2634 malonic acid C3H4O4 (Mass of molecular ion: 104)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
12.0 2.1 13.0 3.8 14.0 19.3 15.0 23.6 16.0 2.4 17.0 3.0 18.0 12.2 28.0 9.1 29.0 10.8 31.0 8.8 36.0 1.0 40.0 1.6 41.0 9.0 42.0 100.0 43.0 49.1 44.0 43.8 45.0 63.8 46.0 1.0 59.0 1.1 60.0 80.5 61.0 1.9 69.0 2.6 87.0 8.6 104.0 1.9
90 MHz in DMSO-d6
90 MHz in acetone-d6
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1H NMR 89.56 MHz C3 H4 O4 0.013 g : 0.5 ml DMSO-d6 malonic acid 
Assign. Shift(ppm)
A 11.5 B 3.260
Hz ppm Int.1026.46 11.462 27 292.29 3.264 1000
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1H NMR 89.56 MHz C3 H4 O4 0.013 g : 0.5 ml acetone-d6 malonic acid Assign. Shift(ppm)
A 11.19 B 3.446
Hz ppm Int.1002.06 11.189 476 308.90 3.450 1000 305.14 3.408 56
KBr disc
nujol mull
4880 A,200 M,powder
