Dimethylmalonic acid(595-46-0) MS
Product NameDimethylmalonic acid
CAS595-46-0
Molecular FormulaC5H8O4
Molecular Weight132.11
InChIInChI=1S/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9)
InChIKey OREAFAJWWJHCOT-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)(C)C(O)=O
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MassMS-KW-0579 dimethylmalonic acid C5H8O4 (Mass of molecular ion: 132)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 3.3 16.0 1.0 17.0 2.3 18.0 13.5 26.0 4.3 27.0 32.8 28.0 13.7 29.0 8.2 31.0 9.7 37.0 2.1 38.0 3.8 39.0 31.1 40.0 8.3 41.0 85.0 42.0 56.7 43.0 80.3 44.0 55.9 45.0 65.3 46.0 3.2 47.0 2.6 53.0 2.8 55.0 16.8 56.0 2.3 57.0 1.9 58.0 2.5 59.0 18.9 60.0 5.8 68.0 4.6 69.0 13.6 70.0 100.0 71.0 7.2 72.0 1.3 73.0 87.2 74.0 4.1 85.0 3.0 86.0 22.9 87.0 42.4 88.0 41.3 89.0 2.1 99.0 4.7 114.0 6.8 115.0 7.1 132.0 7.6 133.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5H8O4 0.039 g : 0.5 ml DMSO-d6 dimethylmalonic acid 
Assign. Shift(ppm)
A 1.285
Hz ppm Int.5038.88 12.605 2 577.02 1.444 5 534.52 1.338 6 523.90 1.311 17 513.27 1.284 1000 447.51 1.120 5
in DMSO-d6
D2O
KBr disc
nujol mull
4880 A,200 M,powder
