Isopropylmalonic acid(601-79-6) MS
Product NameIsopropylmalonic acid
CAS601-79-6
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey DQEUFPARIOFOAI-UHFFFAOYSA-N
SmilesC(O)(=O)C(C(C)C)C(O)=O
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MassMS2015-05152CW isopropylmalonic acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 250 °C Sample Temperature: 20 °C Direct, 70 eV
18.0 2.6 27.0 8.4 28.0 7.5 29.0 6.0 31.0 1.4 32.0 1.8 38.0 1.8 39.0 16.5 40.0 2.5 41.0 24.4 42.0 6.7 43.0 15.3 44.0 7.2 45.0 7.5 53.0 2.2 55.0 6.0 56.0 2.0 57.0 2.5 59.0 3.9 60.0 10.6 68.0 2.4 69.0 20.9 82.0 5.4 83.0 6.3 84.0 4.5 85.0 9.7 86.0 66.0 87.0 29.8 88.0 1.4 100.0 12.7 101.0 4.8 102.0 2.2 104.0 100.0 105.0 5.6 113.0 2.2 129.0 1.6
in DMSO-d6
in DMSO-d6
KBr disc
nujol mull
