Citraconic acid(498-23-7) IR2
Product NameCitraconic acid
CAS498-23-7
Molecular FormulaC5H6O4
Molecular Weight130.1
InChIInChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2-
InChIKey HNEGQIOMVPPMNR-IHWYPQMZSA-N
SmilesC(O)(=O)/C(/C)=C\C(O)=O
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MassMS-NW-1804 citraconic acid C5H6O4 (Mass of molecular ion: 130)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
13.0 1.2 14.0 1.2 15.0 2.2 17.0 9.6 18.0 45.4 25.0 2.9 26.0 3.6 27.0 3.5 28.0 5.9 29.0 3.7 34.0 1.2 36.0 2.8 37.0 13.1 38.0 19.2 39.0 100.0 40.0 73.2 41.0 15.9 42.0 2.3 43.0 7.5 44.0 1.5 45.0 10.3 53.0 5.3 55.0 1.6 66.0 1.1 67.0 3.8 68.0 72.2 69.0 5.9 71.0 2.8 84.0 5.9 85.0 3.4 86.0 24.6 87.0 1.2 112.0 6.5 113.0 3.1
KBr disc
nujol mull
4880 A,200 M,powder
