3-Bromo-2,2-bis(bromomethyl)propanol(1522-92-5) IR2
Product Name3-Bromo-2,2-bis(bromomethyl)propanol
CAS1522-92-5
Molecular FormulaC5H9Br3O
Molecular Weight324.84
InChIInChI=1S/C5H9Br3O/c6-1-5(2-7,3-8)4-9/h9H,1-4H2
InChIKey QEJPOEGPNIVDMK-UHFFFAOYSA-N
SmilesC(O)C(CBr)(CBr)CBr
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MassMS-IW-9348 3-bromo-2,2-bis(bromomethyl)-1-propanol C5H9Br3O (Mass of molecular ion: 322)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
26.0 1.3 27.0 11.1 28.0 1.5 29.0 5.7 31.0 16.8 38.0 1.8 39.0 12.6 40.0 1.2 41.0 10.3 43.0 2.5 50.0 1.7 51.0 5.3 52.0 2.0 53.0 39.0 54.0 3.9 55.0 6.4 57.0 2.4 65.0 2.3 66.0 1.5 69.0 1.4 80.0 1.6 82.0 1.7 93.0 2.9 95.0 2.7 107.0 2.0 109.0 1.3 119.0 2.2 121.0 2.9 123.0 1.5 131.0 2.5 132.0 5.4 133.0 39.0 134.0 6.8 135.0 36.4 136.0 1.6 145.0 1.1 147.0 1.1 163.0 10.4 165.0 10.2 212.0 51.2 213.0 5.7 214.0 100.0 215.0 8.8 216.0 48.4 217.0 4.0 225.0 2.6 227.0 5.1 229.0 2.5 242.0 2.2 244.0 4.0 245.0 1.6 246.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H9 Br3 O 0.042 g : 0.5 ml CDCl3 3-bromo-2,2-bis(bromomethyl)-1-propanol 
Assign. Shift(ppm)
A 3.749 B 3.543 C 1.90
Hz ppm Int.1500.85 3.756 82 1495.61 3.743 80 1415.89 3.543 1000 758.42 1.898 36
in CDCl3
KBr disc
nujol mull
