TRANS-2,3-DIBROMO-2-BUTENE-1,4-DIOL(21285-46-1) MS
Product NameTRANS-2,3-DIBROMO-2-BUTENE-1,4-DIOL
CAS21285-46-1
Molecular FormulaC4H6Br2O2
Molecular Weight245.9
InChIInChI=1S/C4H6Br2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
InChIKey MELXIJRBKWTTJH-ONEGZZNKSA-N
SmilesC(O)/C(/Br)=C(\Br)/CO
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MassMS-IW-0855 trans-2,3-dibromo-2-butene-1,4-diol C4H6Br2O2 (Mass of molecular ion: 244)
Source Temperature: 110 °C Sample Temperature: 90 °C Direct, 75 eV
15.0 2.3 17.0 2.1 18.0 11.3 19.0 1.8 25.0 1.5 26.0 9.7 27.0 29.6 28.0 6.5 29.0 100.0 30.0 4.2 31.0 63.1 37.0 5.6 38.0 16.4 39.0 86.5 40.0 10.8 41.0 8.4 42.0 5.7 43.0 7.3 45.0 1.1 47.0 2.3 49.0 1.0 50.0 4.7 51.0 5.6 52.0 1.7 53.0 7.2 54.0 2.4 55.0 31.5 56.0 4.3 57.0 94.5 58.0 4.4 66.0 2.3 67.0 4.7 68.0 24.0 69.0 4.4 79.0 1.8 80.0 4.3 81.0 2.6 82.0 4.4 83.0 1.7 84.0 1.8 85.0 96.2 86.0 40.2 87.0 2.1 93.0 3.8 95.0 3.4 104.0 2.4 105.0 10.1 106.0 3.0 107.0 13.4 109.0 5.5 111.0 1.7 117.0 11.7 118.0 6.8 119.0 71.7 120.0 7.9 121.0 60.8 122.0 2.7 123.0 2.0 131.0 1.3 133.0 4.4 135.0 9.1 137.0 6.0 146.0 1.6 147.0 53.3 148.0 4.1 149.0 52.1 150.0 2.4 165.0 9.5 167.0 9.1 183.0 1.2 185.0 2.8 187.0 2.0 197.0 1.3 198.0 1.5 199.0 2.8 200.0 1.8 201.0 2.1 213.0 1.2 215.0 2.1 217.0 1.0 226.0 2.9 228.0 5.7 230.0 2.7 244.0 38.4 245.0 1.8 246.0 75.0 247.0 3.4 248.0 36.8 249.0 1.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H6 Br2 O2 0.034 g : 0.5 ml DMSO-d6 trans-2,3-dibromo-2-butene-1,4-diol 
Assign. Shift(ppm)
A 5.54 B 4.322
Hz ppm Int.2222.17 5.561 244 2215.94 5.545 539 2209.84 5.530 259 1730.59 4.331 1000 1724.37 4.315 984 1717.04 4.297 34 1710.69 4.281 21
in DMSO-d6
KBr disc
nujol mull
