Isopropylmalonic acid(601-79-6) 13C NMR
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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Mass
MS2015-05152CW
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