2,3-DIMETHYLSUCCINIC ACID(13545-04-5) Raman
Product Name2,3-DIMETHYLSUCCINIC ACID
CAS13545-04-5
Molecular FormulaC6H10O4
Molecular Weight146.14
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey KLZYRCVPDWTZLH-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)C(C)C(O)=O
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MassMS-NW-6346 2,3-dimethylsuccinic acid C6H10O4 (Mass of molecular ion: 146)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.9 17.0 2.8 18.0 10.8 26.0 6.5 27.0 17.9 28.0 14.9 29.0 10.4 37.0 1.3 38.0 2.4 39.0 14.7 40.0 3.6 41.0 48.1 42.0 2.0 43.0 1.5 44.0 1.2 45.0 3.7 50.0 2.0 51.0 1.8 53.0 2.3 54.0 2.0 55.0 13.5 56.0 100.0 57.0 5.6 66.0 1.0 69.0 2.9 73.0 2.8 74.0 8.2 83.0 1.4 85.0 1.9 87.0 5.3 100.0 6.5 101.0 1.0 128.0 1.7
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 2,3-dimethylsuccinic acid 
Assign. Shift(ppm)
A 12.2 B 2.605 C 1.040
Hz ppm Int.4878.45 12.207 413 1056.87 2.645 23 1049.73 2.627 99 1046.61 2.619 75 1044.78 2.615 198 1042.58 2.609 200 1039.84 2.602 201 1037.64 2.597 202 1035.62 2.592 77 1032.88 2.585 106 1025.55 2.567 30 426.78 1.068 142 426.41 1.067 141 419.45 1.050 1000 417.44 1.045 558 414.32 1.037 569 412.31 1.032 983 406.81 1.018 103
in DMSO-d6
KBr disc
nujol mull
