1,1,3,3-Tetrabromoacetone(22612-89-1) IR2
Product Name1,1,3,3-Tetrabromoacetone
CAS22612-89-1
Molecular FormulaC3H2Br4O
Molecular Weight373.66
InChIInChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H
InChIKey SAMNBOHOBWEEEU-UHFFFAOYSA-N
SmilesC(Br)(Br)C(=O)C(Br)Br
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MassMS-IW-8620 1,1,3,3-tetrabromoacetone C3H2Br4O (Mass of molecular ion: 370)
Source Temperature: 200 °C Sample Temperature: 150 °C Direct, 75 eV
25.0 1.9 26.0 5.4 28.0 1.0 29.0 1.0 37.0 1.0 38.0 1.0 41.0 1.4 42.0 1.6 53.0 1.3 79.0 3.9 80.0 3.0 81.0 3.8 82.0 3.0 91.0 3.0 92.0 7.2 93.0 3.9 94.0 7.1 104.0 2.5 105.0 5.5 106.0 2.6 107.0 5.4 120.0 83.1 121.0 6.5 122.0 81.4 123.0 6.3 171.0 25.4 172.0 1.4 173.0 49.9 174.0 1.1 175.0 24.2 184.0 1.2 185.0 1.5 186.0 2.2 188.0 1.0 198.0 3.9 199.0 51.6 200.0 8.7 201.0 100.0 202.0 6.0 203.0 49.0 204.0 1.1 265.0 1.4 267.0 1.4 370.0 1.8 372.0 7.1 374.0 10.4 376.0 6.8 378.0 1.6
parameter in CDCl3
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1H NMR 300 MHz C3 H2 Br4 O 0.041 g : 0.5 ml CDCl3 1,1,3,3-tetrabromoacetone 
Parameter ppm Hz
D(A) 7.270
Hz ppm Int.2181.00 7.270 1000
in CDCl3
KBr disk
nujol mull
