2,2-Dimethylsuccinic acid (597-43-3) MS
Product Name2,2-Dimethylsuccinic acid
CAS597-43-3
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKey GOHPTLYPQCTZSE-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)(C)CC(O)=O
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MassMS-NW-6369 2,2-dimethylsuccinic acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.3 15.0 3.2 17.0 4.0 18.0 18.8 26.0 2.5 27.0 11.3 28.0 5.5 29.0 8.2 31.0 1.1 37.0 2.1 38.0 4.1 39.0 24.5 40.0 6.9 41.0 63.6 42.0 4.8 43.0 6.8 44.0 2.7 45.0 3.6 50.0 1.8 51.0 1.7 53.0 2.1 54.0 1.4 55.0 11.7 56.0 100.0 57.0 5.4 59.0 21.8 60.0 2.4 69.0 3.5 72.0 2.4 83.0 1.1 85.0 1.7 87.0 9.7 100.0 6.1 101.0 2.7 102.0 1.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H10 O4 0.039 g : 0.5 ml DMSO-d6 2,2-dimethylsuccinic acid 
Assign. Shift(ppm)
A 12.0 B 2.447 C 1.158
Hz ppm Int.978.11 2.448 398 462.86 1.159 1000
in DMSO-d6
KBr disc
nujol mull
