BROMOSUCCINIC ACID(923-06-8) 13C NMR
Product NameBROMOSUCCINIC ACID
CAS923-06-8
Molecular FormulaC4H5BrO4
Molecular Weight196.98
InChIInChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)
InChIKey QQWGVQWAEANRTK-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)CC(O)=O
-
MassMS-NW-6608 bromosuccinic acid C4H5BrO4 (Mass of molecular ion: 196)
Source Temperature: 180 °C Sample Temperature: 140 °C Direct, 75 eV
13.0 1.2 14.0 2.7 15.0 6.6 17.0 2.6 18.0 11.4 19.0 1.0 25.0 4.6 26.0 29.8 27.0 100.0 28.0 16.6 29.0 11.0 31.0 1.3 41.0 2.7 42.0 11.5 43.0 26.5 44.0 14.7 45.0 62.4 46.0 5.9 47.0 1.7 53.0 8.0 54.0 8.5 55.0 58.5 56.0 4.1 57.0 1.2 71.0 38.0 72.0 17.4 73.0 68.5 74.0 2.8 79.0 10.7 80.0 27.6 81.0 11.0 82.0 26.7 88.0 1.1 89.0 1.7 98.0 6.6 99.0 8.4 100.0 1.1 105.0 2.5 106.0 20.9 107.0 8.4 108.0 20.3 109.0 6.9 116.0 1.7 123.0 1.1 125.0 1.1 133.0 4.3 134.0 1.1 135.0 4.4 136.0 1.0 150.0 27.3 151.0 3.5 152.0 34.8 153.0 3.6 154.0 8.4 178.0 50.6 179.0 3.5 180.0 50.3 181.0 3.4
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C4 H5 Br O4 saturated in DMSO-d6 bromosuccinic acid 
Assign. Shift(ppm)
A 4.523 B *1 3.077 C *1 2.894
Hz ppm Int.1815.43 4.543 768 1809.08 4.527 977 1806.88 4.522 940 1800.54 4.506 829 1244.38 3.114 649 1235.84 3.093 618 1227.29 3.071 959 1218.75 3.050 955 1166.99 2.921 950 1160.64 2.905 1000 1149.90 2.878 698 1143.55 2.862 632
in DMSO-d6
KBr disc
nujol mull
