Dibromoacetic acid(631-64-1) MS
Product NameDibromoacetic acid
CAS631-64-1
Molecular FormulaC2H2Br2O2
Molecular Weight217.84
InChIInChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey SIEILFNCEFEENQ-UHFFFAOYSA-N
SmilesC(O)(=O)C(Br)Br
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MassMS-IW-3791 dibromoacetic acid C2H2Br2O2 (Mass of molecular ion: 216)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
13.0 1.3 17.0 8.5 18.0 38.5 28.0 4.4 29.0 11.1 41.0 4.4 44.0 5.2 45.0 13.4 79.0 11.6 80.0 9.4 81.0 12.1 82.0 9.2 91.0 11.3 92.0 26.3 93.0 62.8 94.0 28.6 95.0 51.8 96.0 2.8 109.0 6.1 111.0 5.6 120.0 4.8 122.0 4.8 137.0 12.1 138.0 1.4 139.0 11.8 140.0 1.5 160.0 1.0 171.0 11.8 172.0 52.8 173.0 23.3 174.0 100.0 175.0 12.3 176.0 48.7 216.0 6.6 218.0 12.9 220.0 6.3
parameter in CDCl3
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1H NMR 300 MHz C2 H2 Br2 O2 0.041 g : 0.5 ml CDCl3 dibromoacetic acid 
Parameter ppm Hz
D(A) 10.62 D(B) 5.859
Hz ppm Int.3185.99 10.620 189 1757.70 5.859 1000
in CDCl3
KBr disc
nujol mull
