KETOMALONIC ACID MONOHYDRATE(560-27-0) IR2
Product NameKETOMALONIC ACID MONOHYDRATE
CAS560-27-0
Molecular FormulaC3H4O6
Molecular Weight136.06
InChIInChI=1S/C3H4O6/c4-1(5)3(8,9)2(6)7/h8-9H,(H,4,5)(H,6,7)
InChIKey VUCKYGJSXHHQOJ-UHFFFAOYSA-N
SmilesC(O)(=O)C(O)(O)C(O)=O
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MassMS-NW-7011 dihydroxymalonic acid C3H4O6 (Mass of molecular ion: 136)
Source Temperature: 210 °C Sample Temperature: 120 °C Direct, 75 eV
12.0 1.3 16.0 2.1 17.0 6.5 18.0 23.2 28.0 17.1 29.0 32.9 30.0 8.2 31.0 1.2 40.0 1.3 44.0 43.8 45.0 100.0 46.0 51.6 47.0 1.1 56.0 4.9 58.0 1.3 74.0 4.2
D2O
KBr disc
liquid film
nujol mull
